SCHEMBL16613201

SCHEMBL16613201

NC(=O)c1ccc(N2CCNCC2)nc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.52
HTR3E A5X5Y0 3/20 0.49
HTR3B O95264 3/20 0.49
HTR3A P46098 3/20 0.49
HTR3D Q70Z44 3/20 0.49
HTR3C Q8WXA8 3/20 0.49
ALDH1A1 P00352 3/20 0.49
BPTF Q12830 1/20 0.46
IRAK4 Q9NWZ3 2/20 0.46
KDM4E B2RXH2 3/20 0.45
CYP3A4 P08684 3/20 0.45
HSD17B10 Q99714 3/20 0.45
HTR2C P28335 3/20 0.44
CYP1A2 P05177 2/20 0.44
HTR1A P08908 2/20 0.44
USP2 O75604 1/20 0.44
ADRB1 P08588 1/20 0.44
MAPK1 P28482 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR7 P34969 1/20 0.44

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
SCHEMBL30572289 0.82 IKBKB (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22212873 0.82 ADRB2 (0.52) ADRB2HTR3EHTR3BHTR3AHTR3D
SCHEMBL22212887 0.82 ADRB2 (0.49) ADRB2HTR3EHTR3BHTR3AHTR3D
SCHEMBL16597825 0.81 BTK (0.48) ADRB2HTR3EHTR3BHTR3AHTR3D
SCHEMBL16597831 0.81 MEN1 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16613209 0.76 BTK (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3686674 0.75 KDM4E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21493103 0.74 PRKCQ (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30829270 0.74 PRKCQ (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1331125 0.73 ESR1 (0.48) HSD17B10CYP1A2HTR2A

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 14 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-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-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 ADRB2 3576/4885HTR3E 4305/4885HTR3B 3763/4885
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 ADRB2 3576/4885HTR3E 4305/4885HTR3B 3763/4885
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 ADRB2 3576/4885HTR3E 4305/4885HTR3B 3763/4885
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 ADRB2 3576/4885HTR3E 4305/4885HTR3B 3763/4885
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 ADRB2 3576/4885HTR3E 4305/4885HTR3B 3763/4885
US-20220298153-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER BTK, SYK, LYN ADRB2 3626/4885HTR3E 4236/4885HTR3B 3864/4885
US-11840513-B2 Substituted nicotinimide inhibitors of BTK for treating cancer BTK, SYK, LYN ADRB2 3626/4885HTR3E 4236/4885HTR3B 3864/4885

“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.