SCHEMBL4737847

SCHEMBL4737847

O=C(Nc1ccc(Oc2ccnc(C(=O)NO)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 1.00
RAF1 P04049 10/20 0.84
PDGFRB P09619 4/20 0.84
BRAF P15056 3/20 0.84
RET P07949 3/20 0.84
ARAF P10398 2/20 0.84
GSK3B P49841 2/20 0.84
RIPK2 O43353 2/20 0.84
ABCB11 O95342 2/20 0.84
ABL1 P00519 2/20 0.84
HTR1A P08908 2/20 0.84
ADORA3 P0DMS8 2/20 0.84
KIT P10721 2/20 0.84
FGFR1 P11362 2/20 0.84
PDGFRA P16234 2/20 0.84
FLT1 P17948 2/20 0.84
MAOA P21397 2/20 0.84
EPHA1 P21709 2/20 0.84
TBXA2R P21731 2/20 0.84
EPHA2 P29317 2/20 0.84

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
Sorafenib SCHEMBL1533981 0.92 RAF1 (0.98) KDRRAF1PDGFRBBRAFRET
Sorafenib SCHEMBL29349634 0.91 RAF1 (1.00) KDRRAF1PDGFRBBRAFRET
Sorafenib SCHEMBL14739751 0.91 RAF1 (1.00) KDRRAF1PDGFRBBRAFRET
SCHEMBL3407760 0.91 KDR (0.84) KDRRAF1PDGFRBBRAFRET
Sorafenib SCHEMBL8218 0.91 RAF1 (1.00) KDRRAF1PDGFRBBRAFRET
SCHEMBL22627130 0.91 RAF1 (0.85) KDRRAF1PDGFRBBRAFRET
SCHEMBL24535359 0.90 RAF1 (0.84) KDRRAF1PDGFRBBRAFRET
Sorafenib SCHEMBL1896610 0.90 RAF1 (0.98) KDRRAF1PDGFRBBRAFRET
SCHEMBL22336541 0.90 RAF1 (0.84) KDRRAF1PDGFRBBRAFRET
Sorafenib SCHEMBL18863920 0.90 RAF1 (0.98) KDRRAF1PDGFRBBRAFRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012091-A1 Oximide derivatives and their therapeutical application KINAGEN, INC. (US) 2009-01-08 US disclosed
US-20090012091-A1 Oximide derivatives and their therapeutical application KINAGEN, INC. (US) 2009-01-08 US disclosed
WO-2008115263-A2 RAF KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-09-25 WO disclosed
US-20080234332-A1 RAF KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-09-25 US disclosed
US-20080234332-A1 RAF KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-09-25 US disclosed
US-20080234332-A1 RAF KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-09-25 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 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 (3 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 KDR 2667/4885RAF1 925/4885PDGFRB 1790/4885
US-20090012091-A1 Oximide derivatives and their therapeutical application CYP11B2, NOS2, HMOX2 KDR 1151/4885RAF1 3755/4885PDGFRB 1422/4885
US-20080234332-A1 RAF KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY BRAF, RAF1, BAZ2B KDR 1295/4885RAF1 2/4885PDGFRB 1284/4885

“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.