SCHEMBL6385161

SCHEMBL6385161

CNC(=O)c1cc(Oc2ccc(Cl)c(N)c2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.58
BRAF P15056 13/20 0.58
RAF1 P04049 11/20 0.58
RET P07949 3/20 0.58
EPHX2 P34913 3/20 0.58
RIPK2 O43353 2/20 0.58
ABCB11 O95342 2/20 0.58
ABL1 P00519 2/20 0.58
HTR1A P08908 2/20 0.58
PDGFRB P09619 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
KIT P10721 2/20 0.58
FGFR1 P11362 2/20 0.58
PDGFRA P16234 2/20 0.58
FLT1 P17948 2/20 0.58
MAOA P21397 2/20 0.58
EPHA1 P21709 2/20 0.58
TBXA2R P21731 2/20 0.58
EPHA2 P29317 2/20 0.58
TTK P33981 2/20 0.58

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
SCHEMBL619670 0.90 KDR (0.58) KDRBRAFRAF1RETEPHX2
SCHEMBL940461 0.88 KDR (0.62) KDRBRAFRAF1RETEPHX2
SCHEMBL4371903 0.86 KDR (0.59) KDRBRAFRAF1RETEPHX2
SCHEMBL12355381 0.86 KDR (0.59) KDRBRAFRAF1RETEPHX2
SCHEMBL12355380 0.85 KDR (0.50) KDRBRAFRAF1RETEPHX2
SCHEMBL6387865 0.85 KDR (0.61) KDRBRAFRAF1RETEPHX2
SCHEMBL1219701 0.85 KDR (0.58) KDRBRAFRAF1RETEPHX2
SCHEMBL30078261 0.85 KDR (0.61) KDRBRAFRAF1RETEPHX2
Ammonia Solution, Strong SCHEMBL1218414 0.85 KDR (0.58) KDRBRAFRAF1RETEPHX2
SCHEMBL16651380 0.84 KDR (0.67) KDRBRAFRAF1RETEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US disclosed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US disclosed
WO-2007064872-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2007-06-07 WO disclosed
EP-1608639-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-12-28 EP disclosed
US-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2005-02-17 US disclosed
WO-2004078748-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 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-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders CCNC, UACA, SLC14A1 KDR 502/4885BRAF 501/4885RAF1 1822/4885
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER UMPS, SLC14A1, CPS1 KDR 4185/4885BRAF 338/4885RAF1 860/4885

“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.