SCHEMBL6483428

SCHEMBL6483428

COc1cc(CN)ccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
AR P10275 13/20 0.50
NSD2 O96028 2/20 0.48
PGR P06401 1/20 0.45
ATM Q13315 1/20 0.44
IMPDH2 P12268 1/20 0.43
IMPDH1 P20839 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43

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
SCHEMBL29673210 0.89 KDM4E (0.61) KDM4EUSP2ALDH1A1ARNSD2
SCHEMBL6783952 0.89 KDM4E (0.61) KDM4EUSP2ALDH1A1ARNSD2
SCHEMBL12188729 0.84 AR (0.55) KDM4EUSP2ALDH1A1ARPGR
SCHEMBL24838808 0.82 KDM4E (0.44) KDM4EALDH1A1ATM
SCHEMBL2786569 0.82 AR (0.58) KDM4EUSP2ALDH1A1ARPGR
SCHEMBL11857134 0.82 AR (0.50) KDM4EUSP2ALDH1A1ARPGR
SCHEMBL25077588 0.82 AR (0.50) KDM4EUSP2ALDH1A1ARPGR
SCHEMBL7669160 0.82 AR (0.50) KDM4EUSP2ALDH1A1ARPGR
SCHEMBL2787679 0.82 AR (0.50) KDM4EUSP2ALDH1A1ARPGR
SCHEMBL25735784 0.82 AR (0.50) KDM4EUSP2ALDH1A1ARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3788039-B1 FACTOR XIIA INHIBITORS UNIV LEEDS INNOVATIONS LTD (GB) 2026-02-11 EP disclosed
EP-3541375-B1 FACTOR XIIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-23 EP disclosed
EP-3541375-B1 FACTOR XIIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-23 EP disclosed
US-20210087172-A1 FACTOR XIIa INHIBITORS UNIVERSITY OF LEEDS (GB) 2021-03-25 US disclosed
EP-3773555-A1 FACTOR XIIA INHIBITORS University of Leeds (GB) 2021-02-17 EP disclosed
US-10875851-B2 Factor XIIa inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-29 US disclosed
US-10875851-B2 Factor XIIa inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-29 US disclosed
US-20190352294-A1 Factor XIIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2019-11-21 US disclosed
US-20190352294-A1 Factor XIIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2019-11-21 US disclosed
WO-2019186164-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2019-10-03 WO disclosed
WO-2018093695-A1 FACTOR XIIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO disclosed
WO-2017024996-A1 HYDROXY AMIDINE DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF 江苏恒瑞医药股份有限公司 2017-02-16 WO disclosed
US-20120035131-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2012-02-09 US disclosed
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
WO-1996025426-A9 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS 1997-06-12 WO disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 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 (5 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-20120035131-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 KDM4E 2571/4885USP2 4598/4885ALDH1A1 1197/4885
US-10875851-B2 Factor XIIa inhibitors F11, F13B, SERPINC1 KDM4E 1232/4885USP2 2934/4885ALDH1A1 1906/4885
US-20210087172-A1 FACTOR XIIa INHIBITORS F11, F13B, F12 KDM4E 1509/4885USP2 3655/4885ALDH1A1 1427/4885
US-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 KDM4E 4081/4885USP2 3179/4885ALDH1A1 925/4885
US-20190352294-A1 Factor XIIa Inhibitors F11, F13B, SERPINC1 KDM4E 1232/4885USP2 2934/4885ALDH1A1 1906/4885

“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.