SCHEMBL16613220

SCHEMBL16613220

NC(=O)c1ccc(N2CCNCC2)cc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.58
ACVR1 Q04771 7/20 0.49
MAPK10 P53779 2/20 0.49
TGFBR1 P36897 2/20 0.49
MAPK8 P45983 1/20 0.49
SCN9A Q15858 1/20 0.49
BTK Q06187 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR5A P47898 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43

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
Hydrochloric Acid SCHEMBL16597755 0.99 LTA4H (0.56) LTA4HACVR1MAPK10TGFBR1MAPK8
SCHEMBL16597725 0.83 BTK (0.64) BTKPARP14PARP10
SCHEMBL6126130 0.82 ALDH1A1 (0.55) ACVR1TGFBR1USP2ALDH1A1TSHR
SCHEMBL16597573 0.80 PDK2 (0.48) BTKALDH1A1PARP14PARP10
SCHEMBL16613216 0.77 BTK (0.48) BTKPARP14PARP10HTR1A
SCHEMBL6630880 0.77 LTA4H (0.54) LTA4HMAPK10MAPK8SCN9AHSD17B10
SCHEMBL16597779 0.76 BTK (0.71) LTA4HSCN9ABTK
SCHEMBL28103092 0.76 LTA4H (0.58) LTA4HUSP2ALDH1A1TSHRHSD17B10
SCHEMBL2156502 0.75 LTA4H (1.00) LTA4HSCN9AUSP2ALDH1A1TSHR
SCHEMBL5935096 0.75 PARP10 (0.63) BTKALDH1A1PARP14PARP10

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-20180222897-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) 2018-08-09 US disclosed
US-20180222897-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) 2018-08-09 US disclosed
US-9951056-B2 Substituted nicotinamide inhibitors of BTK and their preparation and use in the treatment of cancer, inflammation and autoimmune disease BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2018-04-24 US disclosed
US-9951056-B2 Substituted nicotinamide inhibitors of BTK and their preparation and use in the treatment of cancer, inflammation and autoimmune disease BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2018-04-24 US 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
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
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

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

For each of this compound's patents that has machine-readable text (7 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-20160237075-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE BTK, SYK, LYN LTA4H 1672/4885ACVR1 4281/4885MAPK10 131/4885
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 LTA4H 1672/4885ACVR1 4281/4885MAPK10 131/4885
US-20180222897-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE BTK, SYK, LYN LTA4H 1672/4885ACVR1 4281/4885MAPK10 131/4885
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 LTA4H 1672/4885ACVR1 4281/4885MAPK10 131/4885
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 LTA4H 1672/4885ACVR1 4281/4885MAPK10 131/4885
US-20220298153-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER BTK, SYK, LYN LTA4H 2254/4885ACVR1 4345/4885MAPK10 135/4885
US-11840513-B2 Substituted nicotinimide inhibitors of BTK for treating cancer BTK, SYK, LYN LTA4H 2254/4885ACVR1 4345/4885MAPK10 135/4885

“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.