SCHEMBL2029290

SCHEMBL2029290

[c]1nnnn1-c1nncs1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 1/20 0.31
FBP1 P09467 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7778733 0.64 KDM4E (0.31) KDM4E
SCHEMBL967912 0.55 ALDH1A1 (0.44) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL7905948 0.55 KDM4E (0.35) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2003065 0.54
SCHEMBL14891491 0.49
SCHEMBL5457200 0.48 FBP1 (1.00) ALDH1A1GAAHPGDFBP1
SCHEMBL8878345 0.48 FBP1 (0.70) ALDH1A1GAAHPGDFBP1
SCHEMBL8156347 0.48 FBP1 (0.42) FBP1
SCHEMBL11119985 0.48
SCHEMBL10949129 0.46

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101545-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER GUANGZHOU INNOCARE PHARMA TECH CO LTD (CN) 2024-03-28 US disclosed
US-11840513-B2 Substituted nicotinimide inhibitors of BTK for treating cancer Guangzhou Innocare Pharma Tech Co., Ltd (CN) 2023-12-12 US disclosed
US-20220298153-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER GUANGZHOU INNOCARE PHARMA TECH CO LTD (CN) 2022-09-22 US disclosed
US-11345695-B2 Substituted nicotinimide inhibitors of BTK and their preparation and use in the treatment of cancer, inflammation and autoimmune disease GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2022-05-31 US disclosed
EP-3052476-B1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE GUANGZHOU INNOCARE PHARMA TECH CO LTD (CN) 2020-07-15 EP disclosed
US-20190276446-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE GUANGZHOU INNOCARE PHARMA TECH CO LTD (CN) 2019-09-12 US disclosed
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2019-07-25 US disclosed
US-10301297-B2 Substituted nicotinimide inhibitors of BTK and their preparation and use in the treatment of cancer, inflammation and autoimmune disease GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2019-05-28 US disclosed
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2019-03-19 US disclosed
US-20190008835-A1 COMPOSITIONS AND COMBINATIONS OF AUTOTAXIN INHIBITORS X RX INC (US) 2019-01-10 US disclosed
US-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX, INC. 2017-02-09 US disclosed
EP-3125895-A1 SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN X-RX, Inc. (US) 2017-02-08 EP disclosed
US-20160237075-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2016-08-18 US disclosed
EP-3052476-A2 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE Beijing Synercare Pharma Tech Co., Ltd. (CN) 2016-08-10 EP disclosed
WO-2015175171-A1 SUBSTITUTED N-(2-(AMINO)-2-OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX DISCOVERY, INC. (US) 2015-11-19 WO disclosed
WO-2015154023-A1 SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN X-RX DISCOVERY, INC. (US) 2015-10-08 WO disclosed
WO-2015048662-A2 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE X-RX DISCOVERY, INC. (US) 2015-04-02 WO disclosed
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
WO-2007006724-A1 5-ALKYL-7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND USE THEREOF FOR THE PREVENTION OF FUNGAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2007-01-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190008835-A1 COMPOSITIONS AND COMBINATIONS OF AUTOTAXIN INHIBITORS ENPP2, SERPINC1, SERPINB1 KDM4E 3774/4885ALDH1A1 4588/4885GAA 1318/4885
US-20160237075-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE BTK, SYK, LYN KDM4E 1018/4885ALDH1A1 3484/4885GAA 3899/4885
US-20190276446-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE BTK, SYK, LYN KDM4E 1018/4885ALDH1A1 3484/4885GAA 3899/4885
US-11345695-B2 Substituted nicotinimide inhibitors of BTK and their preparation and use in the treatment of cancer, inflammation and autoimmune disease BTK, SYK, LYN KDM4E 1018/4885ALDH1A1 3484/4885GAA 3899/4885
US-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES ENPP2, LPAR2, LPCAT3 KDM4E 2543/4885ALDH1A1 2980/4885GAA 440/4885
US-10301297-B2 Substituted nicotinimide inhibitors of BTK and their preparation and use in the treatment of cancer, inflammation and autoimmune disease BTK, SYK, LYN KDM4E 1018/4885ALDH1A1 3484/4885GAA 3899/4885
US-20220298153-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER BTK, SYK, LYN KDM4E 977/4885ALDH1A1 3301/4885GAA 3438/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS KDM4E 2379/4885ALDH1A1 1117/4885GAA 3000/4885
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, CXCR3, SLC10A1 KDM4E 3789/4885ALDH1A1 1900/4885GAA 1417/4885
US-20240101545-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER BTK, SYK, LYN KDM4E 977/4885ALDH1A1 3301/4885GAA 3438/4885
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 KDM4E 3762/4885ALDH1A1 1493/4885GAA 1645/4885
US-11840513-B2 Substituted nicotinimide inhibitors of BTK for treating cancer BTK, SYK, LYN KDM4E 977/4885ALDH1A1 3301/4885GAA 3438/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.