SCHEMBL5751215

SCHEMBL5751215

COc1cc(F)c(C#N)c(I)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
TRPV4 Q9HBA0 1/20 0.37
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ACHE P22303 1/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CA9 Q16790 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACVR1B P36896 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL5749526 0.81 ADORA2A (0.43) KDM4EADORA2AADORA1PDE4APDE4B
SCHEMBL5754832 0.79 CA1 (0.38) KDM4ETRPV4ADORA2AADORA1PDE4A
SCHEMBL5753766 0.73 ALDH1A1 (0.42) KDM4EMAPK1SMN1; SMN2BRD4CYP3A4
SCHEMBL24253799 0.72 TRPV4 (0.52) KDM4ETRPV4
SCHEMBL17992 0.71 TRPV4 (0.42) KDM4ETRPV4MAPK1SMN1; SMN2MAPT
SCHEMBL6767370 0.70 KDM4E (0.41) KDM4EADORA2AADORA1MAPK1BRD4
SCHEMBL1728934 0.70 KDM4E (0.40) KDM4EADORA2AADORA1PDE4APDE4B
SCHEMBL7015225 0.70 BPTF (0.43) KDM4EADORA2AADORA1PDE4APDE4B
SCHEMBL5777794 0.68 TRPV4 (0.39) KDM4ETRPV4ADORA2AADORA1MAPK1
SCHEMBL2725966 0.68 ALDH1A1 (0.44) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1387839-B1 PROCESS FOR THE PRODUCTION OF QUINAZOLINES PFIZER LTD (GB) 2006-03-08 EP disclosed
US-20040158062-A1 Process for the production of quinazolines PFIZER INC 2004-08-12 US disclosed
US-6734303-B2 THERAPY FOR BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2004-05-11 US disclosed
EP-1387839-A1 PROCESS FOR THE PRODUCTION OF QUINAZOLINES Pfizer Limited (GB) 2004-02-11 EP disclosed
US-20030004339-A1 Process for the production of quinazolines PFIZER INC. 2003-01-02 US disclosed
WO-2002094815-A1 PROCESS FOR THE PRODUCTION OF QUINAZOLINES PFIZER LIMITED (GB) 2002-11-28 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 (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-20030004339-A1 Process for the production of quinazolines BPHL, KLK3, AQP3 KDM4E 2554/4885TRPV4 2627/4885ADORA2A 4608/4885
US-20040158062-A1 Process for the production of quinazolines BPHL, QDPR, NQO2 KDM4E 3087/4885TRPV4 2559/4885ADORA2A 4258/4885

“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.