SCHEMBL4810016

SCHEMBL4810016

COc1ccn(C)c(=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
BRD4 O60885 3/20 0.46
PTPN1 P18031 1/20 0.41
MGLL Q99685 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TXNRD1 Q16881 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
Formic Acid SCHEMBL30781893 0.91 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31598867 0.78 TUBB4A (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9464494 0.77 IDH1 (0.44) BRD4MGLLCMA1NPC1RAB9A
SCHEMBL116788 0.76 HPGD (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16776508 0.76 TUBB4A (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14856800 0.76 HAO1 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL26698236 0.76 LMNA (0.46) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL30770309 0.75 CA12 (0.44) ALDH1A1MAPTCA12CA1CA2
SCHEMBL22847783 0.74 KDM4E (0.54) BRD4PTPN1ALDH1A1MAPTKDM4E
SCHEMBL27250557 0.74 MGLL (0.37) BRD4MGLLALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115362149-A SHP2 inhibitor and composition and application thereof 贝达药业股份有限公司 2022-11-18 CN claimed
US-20250179059-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-06-05 US disclosed
CN-116135858-B Furanopyridone compound and application thereof 中国科学院广州生物医药与健康研究院 2025-04-01 CN disclosed
US-12162870-B2 Anticancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-12-10 US disclosed
EP-4351560-A1 ANTICANCER COMPOUNDS The Regents of the University of California (US) 2024-04-17 EP disclosed
CN-117794525-A Anticancer compounds 加利福尼亚大学董事会 2024-03-29 CN disclosed
WO-2024043319-A1 ANTIBODY-DRUG COMPLEX エーザイ・アール・アンド・ディー・マネジメント株式会社 2024-02-29 WO disclosed
WO-2023088493-A1 FURO-PYRIDONE COMPOUND AND USE THEREOF 中国科学院广州生物医药与健康研究院 2023-05-25 WO disclosed
US-20230025178-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-01-26 US disclosed
US-20230025178-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-01-26 US disclosed
US-20160016966-A1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-01-21 US disclosed
EP-2970323-A1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2016-01-20 EP disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
WO-2014140077-A1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-09-18 WO disclosed
US-7399320-B2 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds L'OREAL (FR) 2008-07-15 US disclosed
US-20080092307-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds L'OREAL (FR) 2008-04-24 US disclosed
US-7311736-B2 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds L'OREAL (FR) 2007-12-25 US disclosed
WO-2007006591-A2 DIHALOGENATION OF N,O-DISUBSTITUTED HYDROXIPYRIDONES AND USES THEREOF BAYER CROPSCIENCE SA (FR) 2007-01-18 WO disclosed
US-20050028300-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetraazapentamethine compounds L'OREAL (FR) 2005-02-10 US disclosed
US-4898654-A IRRADIATING INCLUSION COMPLEX OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-02-06 US 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-20250179059-A1 ANTICANCER COMPOUNDS BET1, BRD4, BICRA TUBB4A 1290/4885TUBB 782/4885TUBA3C 1307/4885
US-20230025178-A1 ANTICANCER COMPOUNDS BET1, BRD4, BICRA TUBB4A 1290/4885TUBB 782/4885TUBA3C 1307/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B TUBB4A 1356/4885TUBB 550/4885TUBA3C 695/4885
US-20050028300-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetraazapentamethine compounds KRT18, TET1, DNMT1 TUBB4A 8/4885TUBB 7/4885TUBA3C 38/4885
US-20080092307-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds KRT18, TUBA4A, TUBB4A TUBB4A 3/4885TUBB 9/4885TUBA3C 31/4885
US-20160016966-A1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS BRD3, BRD4, BRPF3 TUBB4A 1107/4885TUBB 405/4885TUBA3C 912/4885
US-12162870-B2 Anticancer compounds BET1, BRD4, BICRA TUBB4A 1290/4885TUBB 782/4885TUBA3C 1307/4885

“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.