SCHEMBL61922

SCHEMBL61922

Cc1nc(Cl)nc2ccsc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.53
ADORA1 P30542 8/20 0.53
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47
TUBB2B Q9BVA1 2/20 0.47
TUBB1 Q9H4B7 2/20 0.47
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46

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
SCHEMBL31462939 0.81 ADORA2A (0.58) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL55563 0.81 ADORA2A (0.58) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL61008 0.79 ADORA2A (0.49) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL20783852 0.76 RAB9A (0.41) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL9383494 0.76 ADORA2A (0.53) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL13236422 0.76 ADORA2A (0.53) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL24174509 0.76 HTT (0.61) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL20588666 0.76 ADORA2A (0.49) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL20609567 0.76 ADORA2A (0.49) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL2533678 0.76 TUBB4A (0.61) ADORA2AADORA1TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4635949-A1 SUBSTITUTED TETRAHYDROCYCLOPENTYL[C]PYRROLE DERIVATIVE, PREPARATION METHOD, INTERMEDIATE AND USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2025-10-22 EP disclosed
WO-2024125395-A1 SUBSTITUTED TETRAHYDROCYCLOPENTYL[C]PYRROLE DERIVATIVE, PREPARATION METHOD, INTERMEDIATE AND USE THEREOF 江苏恩华药业股份有限公司 2024-06-20 WO disclosed
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 US disclosed
US-9353126-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
EP-2476679-B1 Substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC (US) 2015-10-14 EP disclosed
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-03-12 US disclosed
US-8906922-B2 Substituted triazoles useful as AXl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-12-09 US disclosed
US-8530652-B2 Pyrrolopyrazoles, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2013-09-10 US disclosed
US-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2012-10-18 US disclosed
US-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2012-10-18 US disclosed
US-8067591-B2 Pyrrolopyrazole, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
WO-2011130628-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. (US) 2011-10-20 WO disclosed
EP-1838718-B1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER (US) 2011-06-15 EP disclosed
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS ZHANG JUNHU 2010-09-02 US disclosed
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS ZHANG JUNHU 2010-09-02 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 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 (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-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK ADORA2A 1732/4885ADORA1 2337/4885TUBB4A 2540/4885
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R ADORA2A 247/4885ADORA1 154/4885TUBB4A 1554/4885
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD ADORA2A 2291/4885ADORA1 3157/4885TUBB4A 2327/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK ADORA2A 1732/4885ADORA1 2337/4885TUBB4A 2540/4885
US-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 ADORA2A 4579/4885ADORA1 4563/4885TUBB4A 612/4885
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, TP53, CCNE1 ADORA2A 3060/4885ADORA1 2244/4885TUBB4A 442/4885
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 ADORA2A 4628/4885ADORA1 4613/4885TUBB4A 539/4885

“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.