SCHEMBL4772909

SCHEMBL4772909

Brc1cc2ccsc2c(Br)n1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.31

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
SCHEMBL29495202 1.00 CYP2A6 (0.31) CYP2A6
SCHEMBL22323360 0.70 SPR (0.36) CYP2A6
SCHEMBL32691515 0.70 SPR (0.36) CYP2A6
SCHEMBL4770512 0.68 CSNK2A2 (0.36) CYP2A6
SCHEMBL17822189 0.68 PIK3CA (0.56)
SCHEMBL14236762 0.65
SCHEMBL30489922 0.65 ALDH1A1 (0.33) CYP2A6
SCHEMBL6598624 0.65 ALDH1A1 (0.33) CYP2A6
SCHEMBL5559032 0.64 NSD1 (0.34)
SCHEMBL8294220 0.64 PDPK1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INT (DE) 2026-03-19 US disclosed
US-12398146-B2 Heterobicyclic amides as inhibitors of CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-08-26 US disclosed
EP-4524135-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2025-03-19 EP disclosed
US-20240368167-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-11-07 US disclosed
US-20240199637-A1 IMPROVED PROCESS FOR THE PREPARATION OF 7-(MORPHOLINYL)-2-(N-PIPERAZINYL)METHYLTHIENO[2, 3-C]PYRIDINE DERIVATIVES NATCO PHARMA LIMITED (IN) 2024-06-20 US disclosed
US-11987584-B2 Heterobicyclic amides as inhibitors of CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-05-21 US disclosed
EP-4326276-A1 IMPROVED PROCESS FOR THE PREPARATION OF 7-(MORPHOLINYL)-2-(N-PIPERAZINYL)METHYLTHIENO[2, 3-C]PYRIDINE DERIVATIVES Natco Pharma Ltd (IN) 2024-02-28 EP disclosed
CN-117529325-A Improved process for preparing 7- (morpholinyl) -2- (N-piperazinyl) methylthio [2,3-c ] pyridine derivatives 纳特科药品有限公司 2024-02-06 CN disclosed
WO-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed
US-20230312586-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-05 US disclosed
US-20170320891-A1 7-(MORPHOLINYL)-2-(N-PIPERAZINYL) METHYL THIENO [2, 3-C] PYRIDINE DERIVATIVES AS ANTICANCER DRUGS NATCO PHARMA LIMITED (IN) 2017-11-09 US disclosed
US-20170320891-A1 7-(MORPHOLINYL)-2-(N-PIPERAZINYL) METHYL THIENO [2, 3-C] PYRIDINE DERIVATIVES AS ANTICANCER DRUGS NATCO PHARMA LIMITED (IN) 2017-11-09 US disclosed
WO-2016092556-A1 7-(MORPHOLINYL)-2-(N-PIPERAZINYL) METHYL THIENO [2, 3-C] PYRIDINE DERIVATIVES AS ANTICANCER DRUGS NATCO PHARMA LIMITED (IN) 2016-06-16 WO disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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 (9 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-20240368167-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, PARP12, ENTPD2 CYP2A6 2168/4885
US-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 CYP2A6 3068/4885
US-12398146-B2 Heterobicyclic amides as inhibitors of CD38 CD38, PARP12, ENTPD2 CYP2A6 2168/4885
US-20230312586-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, PARP12, ENTPD2 CYP2A6 2168/4885
US-20240199637-A1 IMPROVED PROCESS FOR THE PREPARATION OF 7-(MORPHOLINYL)-2-(N-PIPERAZINYL)METHYLTHIENO[2, 3-C]PYRIDINE DERIVATIVES NR2C2, NRDC, NDC1 CYP2A6 656/4885
US-20170320891-A1 7-(MORPHOLINYL)-2-(N-PIPERAZINYL) METHYL THIENO [2, 3-C] PYRIDINE DERIVATIVES AS ANTICANCER DRUGS PRMT7, CDK7, CASP7 CYP2A6 1903/4885
US-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, CD22, CD79B CYP2A6 950/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CYP2A6 3523/4885
US-11987584-B2 Heterobicyclic amides as inhibitors of CD38 CD38, PARP12, ENTPD2 CYP2A6 2168/4885

“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.