SCHEMBL2889232

SCHEMBL2889232

CNC(=O)CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.52
SCN9A Q15858 1/20 0.50
RAF1 P04049 6/20 0.47
BRAF P15056 5/20 0.47
EPHX2 P34913 3/20 0.47
MAPK14 Q16539 3/20 0.44
CSF1R P07333 2/20 0.44
PLK4 O00444 2/20 0.44
AURKA O14965 2/20 0.44
MAPK13 O15264 2/20 0.44
MAP4K4 O95819 2/20 0.44
ABL1 P00519 2/20 0.44
LCK P06239 2/20 0.44
FYN P06241 2/20 0.44
LYN P07948 2/20 0.44
RET P07949 2/20 0.44
SRC P12931 2/20 0.44
RPS6KB1 P23443 2/20 0.44
EPHA2 P29317 2/20 0.44
AXL P30530 2/20 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
SCHEMBL16507708 0.87 KDR (0.47) KDRRAF1BRAFEPHX2MAPK14
SCHEMBL177735 0.86 KDR (0.67) KDRRAF1BRAFEPHX2MAPK14
SCHEMBL16651380 0.86 KDR (0.67) KDRRAF1BRAFEPHX2MAPK14
SCHEMBL619963 0.85 RAF1 (0.57) KDRRAF1BRAFEPHX2MAPK14
SCHEMBL6386075 0.85 SCN9A (0.48) KDRSCN9ARAF1BRAFEPHX2
SCHEMBL20292453 0.83 BRAF (0.53) KDRRAF1BRAFEPHX2MET
SCHEMBL14480928 0.80 KDR (0.56) KDRRAF1BRAFEPHX2MAPK14
SCHEMBL177768 0.79 RAF1 (0.55) KDRRAF1BRAFEPHX2CSF1R
SCHEMBL1896044 0.79 RAF1 (0.48) KDRRAF1BRAFEPHX2AURKA
SCHEMBL26921866 0.79 MMP13 (0.54) KDRBRAFMAPK14EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973897-B1 Substituted pyrimidine derivatives useful in the treatment of cancer and other disorders BAYER IP GMBH (DE) 2014-05-21 EP disclosed
US-8580798-B2 Substituted pyrimidine derivatives useful in the treatment of cancer and other disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 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-20100081812-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-04-01 US disclosed
EP-1973897-A2 SUBSTITUTED PYRYMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer HealthCare AG (DE) 2008-10-01 EP disclosed
WO-2007075650-A2 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER HEALTHCARE AG (DE) 2007-07-05 WO 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 (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-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders CCNC, UACA, SLC14A1 KDR 502/4885SCN9A 4727/4885RAF1 1822/4885
US-20100081812-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS TYMP, DPYD, TYMS KDR 70/4885SCN9A 3941/4885RAF1 1469/4885
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER UMPS, SLC14A1, CPS1 KDR 4185/4885SCN9A 4136/4885RAF1 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.