SCHEMBL6388264

SCHEMBL6388264

COc1cc(N)ccc1Oc1ccnc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
USP2 O75604 1/20 0.48
AR P10275 4/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
ALOX5AP P20292 2/20 0.43
FEN1 P39748 2/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 2/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3370657 0.85 ALOX5AP (0.44) KDM4EALDH1A1USP2ARALOX5AP
SCHEMBL1642817 0.82 ALOX5AP (0.52) KDM4EALDH1A1USP2ARALOX5AP
SCHEMBL4795727 0.80 MAPT (0.47) KDM4EALDH1A1USP2PDGFRBPDGFRA
SCHEMBL6480944 0.80 GAA (0.47) KDM4EALDH1A1USP2PDGFRBPDGFRA
SCHEMBL1642799 0.79 ALDH1A1 (0.48) ALDH1A1ALOX5APFEN1GAAMAPT
SCHEMBL4798025 0.76 MAPT (0.49) KDM4EALDH1A1USP2ARGAA
SCHEMBL503826 0.76 CCR1 (0.55) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL31457261 0.76 MAPT (0.55) KDM4EALDH1A1USP2ARGAA
SCHEMBL5318849 0.76 MAOB (0.51) ALDH1A1ALOX5APFEN1GAAMAPT
SCHEMBL11401708 0.74 MAPK1 (0.56) KDM4EALDH1A1USP2ARGAA

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
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
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 (1 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 KDM4E 1335/4885ALDH1A1 1861/4885USP2 121/4885

“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.