SCHEMBL14764657

SCHEMBL14764657

Brc1cc2ccncc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.55
PIM1 P11309 2/20 0.51
CDK9 P50750 2/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
DAPK3 O43293 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
ABL1 P00519 1/20 0.51
RET P07949 1/20 0.51
FGFR1 P11362 1/20 0.51
PRKACA P17612 1/20 0.51
FLT1 P17948 1/20 0.51
LTK P29376 1/20 0.51
GRK5 P34947 1/20 0.51
KDR P35968 1/20 0.51
MAPK8 P45983 1/20 0.51
CSNK1A1 P48729 1/20 0.51
CDK8 P49336 1/20 0.51

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
SCHEMBL30457382 1.00 CYP2A6 (0.55) CYP2A6PIM1CDK9CHEK1AURKA
SCHEMBL7113297 0.83 CYP2A6 (0.55) CYP2A6PIM1CDK9CHEK1AURKA
SCHEMBL3681417 0.79 CYP2A6 (0.55) CYP2A6PIM1CDK9CHEK1AURKA
SCHEMBL965562 0.75 CYP2A6 (0.55) CYP2A6PIM1CDK9CHEK1AURKA
SCHEMBL5550381 0.75 CYP2A6 (0.65) CYP2A6PIM1CDK9CHEK1AURKA
SCHEMBL30744154 0.75 CYP2A6 (0.65) CYP2A6PIM1CDK9CHEK1AURKA
SCHEMBL30711406 0.75 CYP2A6 (0.55) CYP2A6PIM1CDK9CHEK1AURKA
SCHEMBL16023607 0.75 CYP2A6 (0.55) CYP2A6PIM1CDK9CHEK1AURKA
SCHEMBL30398841 0.73 CYP2A6 (0.45) CYP2A6PIM1CDK9CHEK1AURKA
SCHEMBL23963801 0.72 CHEK1 (0.53) CYP2A6PIM1CDK9CHEK1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979675-B Small molecular sulfur-containing heterocyclic compound 维眸生物科技(上海)有限公司 2023-12-19 CN disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
CN-112979675-A Small-molecule sulfur-containing heterocyclic compound 维眸生物科技(上海)有限公司 2021-06-18 CN disclosed
WO-2021115495-A1 SMALL-MOLECULE SULFUR-CONTAINING HETEROCYCLIC COMPOUND 维眸生物科技(上海)有限公司 2021-06-17 WO disclosed
WO-2021115495-A1 SMALL-MOLECULE SULFUR-CONTAINING HETEROCYCLIC COMPOUND 维眸生物科技(上海)有限公司 2021-06-17 WO disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
EP-2753618-B1 HETEROCYCLIC-SUBSTITUED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
EP-2753618-B1 HETEROCYCLIC-SUBSTITUED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
EP-3027601-A1 SYK INHIBITORS Gilead Sciences, Inc. (US) 2016-06-08 EP disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 US disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO disclosed
US-20140199263-A1 HETEROCYCLIC-SUBSTITUTED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-07-17 US disclosed
US-20140199263-A1 HETEROCYCLIC-SUBSTITUTED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-07-17 US disclosed
US-20140199263-A1 HETEROCYCLIC-SUBSTITUTED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-07-17 US disclosed
WO-2013034047-A1 HETEROCYCLIC-SUBSTITUED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2013033901-A1 HETEROCYCLIC-SUBSTITUTED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2013033901-A1 HETEROCYCLIC-SUBSTITUTED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2013034047-A1 HETEROCYCLIC-SUBSTITUED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 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 (4 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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 CYP2A6 1131/4885PIM1 2312/4885CDK9 1340/4885
US-20150038488-A1 SYK INHIBITORS SYK, BTK, LYN CYP2A6 3843/4885PIM1 238/4885CDK9 909/4885
US-20140199263-A1 HETEROCYCLIC-SUBSTITUTED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HCCS, GTF3C5, EIF5B CYP2A6 234/4885PIM1 2979/4885CDK9 512/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN CYP2A6 3973/4885PIM1 245/4885CDK9 904/4885

“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.