SCHEMBL16613202

SCHEMBL16613202

NC(=O)c1nc(C2CCNC2)sc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 0.52
CHEK1 O14757 1/20 0.42
SCN9A Q15858 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
TNK2 Q07912 1/20 0.39

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 SCHEMBL16597548 0.99 BTK (0.51) BTKCHEK1SCN9AHCRTR1HCRTR2
SCHEMBL16613215 0.94 BTK (0.55) BTKCHEK1SCN9A
SCHEMBL16613213 0.94 BTK (0.56) BTKCHEK1SCN9AHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL16597746 0.93 BTK (0.54) BTKCHEK1SCN9A
Hydrochloric Acid SCHEMBL16597535 0.93 BTK (0.55) BTKCHEK1SCN9AHCRTR1HCRTR2
SCHEMBL18017508 0.84 PARP1 (0.39) CHEK1HCRTR1HCRTR2GABRA1
SCHEMBL8625987 0.79 HCRTR1 (0.43) BTKHCRTR1HCRTR2
SCHEMBL28131821 0.79 BTK (0.60) BTK
Water SCHEMBL8628635 0.78 HCRTR1 (0.43) BTKHCRTR1HCRTR2
Bromide SCHEMBL8625322 0.78 HCRTR1 (0.43) BTKHCRTR1HCRTR2

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 9 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-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
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 BTK 1/4885CHEK1 396/4885SCN9A 922/4885
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 BTK 1/4885CHEK1 396/4885SCN9A 922/4885
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 BTK 1/4885CHEK1 396/4885SCN9A 922/4885
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 BTK 1/4885CHEK1 396/4885SCN9A 922/4885
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 BTK 1/4885CHEK1 396/4885SCN9A 922/4885
US-20220298153-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER BTK, SYK, LYN BTK 1/4885CHEK1 436/4885SCN9A 846/4885
US-11840513-B2 Substituted nicotinimide inhibitors of BTK for treating cancer BTK, SYK, LYN BTK 1/4885CHEK1 436/4885SCN9A 846/4885

“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.