SCHEMBL3872835

SCHEMBL3872835

CCOC(=O)c1ccnc(CN)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 4/20 0.53
KDM5B Q9UGL1 3/20 0.53
KDM5A P29375 1/20 0.53
KDM5C P41229 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
PIK3CA P42336 1/20 0.51
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
CYP1A2 P05177 2/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
HSD17B2 P37059 1/20 0.44
POLB P06746 1/20 0.44

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
Hydrochloric Acid SCHEMBL17113065 0.98 JMJD6 (0.52) JMJD6KDM5BKDM5AKDM5CKDM4C
SCHEMBL3727609 0.87 JMJD6 (0.56) JMJD6KDM5BKDM5AKDM5CKDM4C
SCHEMBL2933744 0.86 JMJD6 (0.55) JMJD6KDM5BKDM5AKDM5CKDM4C
SCHEMBL30607269 0.86 JMJD6 (0.55) JMJD6KDM5BKDM5AKDM5CKDM4C
SCHEMBL7376424 0.84 JMJD6 (0.53) JMJD6KDM5BKDM5AKDM5CKDM4C
SCHEMBL14825305 0.84 JMJD6 (0.53) JMJD6KDM5BKDM5AKDM5CKDM4C
SCHEMBL4450004 0.84 KDM4E (0.55) JMJD6KDM5BKDM5AKDM5CKDM4C
SCHEMBL22912513 0.83 JMJD6 (0.52) JMJD6KDM5BKDM5AKDM5CKDM4C
Hydrochloric Acid SCHEMBL30607263 0.83 JMJD6 (0.52) JMJD6KDM5BKDM5AKDM5CKDM4C
SCHEMBL27045839 0.83 JMJD6 (0.52) JMJD6KDM5BKDM5AKDM5CKDM4C

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016004413-A2 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-07 WO disclosed
US-20160002248-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-07 US disclosed
US-20160002248-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-07 US disclosed
EP-1814846-B1 11BETA-HSD1 INHIBITORS EVOTEC AG (DE) 2009-04-08 EP disclosed
US-20090069323-A1 11beta-hsdi inhibitors EVOTEC AG (DE) 2009-03-12 US disclosed
US-20090069323-A1 11beta-hsdi inhibitors EVOTEC AG (DE) 2009-03-12 US disclosed
US-20090069323-A1 11beta-hsdi inhibitors EVOTEC AG (DE) 2009-03-12 US disclosed
EP-1814846-A1 11BETA-HSD1 INHIBITORS Evotec AG (DE) 2007-08-08 EP disclosed
WO-2006048330-A1 11ΒΕΤΑ-HSD1 INHIBITORS EVOTEC AG (DE) 2006-05-11 WO disclosed
CN-1237170-A Novel tricyclic piperidinyl compounds useful as inhibitors of farnesyl protein transferase SCHERING CORP (US) 1999-12-01 CN 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 (2 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-20160002248-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 JMJD6 3678/4885KDM5B 3067/4885KDM5A 2932/4885
US-20090069323-A1 11beta-hsdi inhibitors HSD3B1, HSD3B2, HSD11B1 JMJD6 2354/4885KDM5B 1452/4885KDM5A 1485/4885

“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.