SCHEMBL2889236

SCHEMBL2889236

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.51
BRAF P15056 7/20 0.47
RAF1 P04049 10/20 0.44
EPHX2 P34913 3/20 0.44
GCK P35557 1/20 0.41
PLK4 O00444 2/20 0.41
AURKA O14965 2/20 0.41
MAPK13 O15264 2/20 0.41
MAP4K4 O95819 2/20 0.41
ABL1 P00519 2/20 0.41
LCK P06239 2/20 0.41
FYN P06241 2/20 0.41
LYN P07948 2/20 0.41
RET P07949 2/20 0.41
SRC P12931 2/20 0.41
RPS6KB1 P23443 2/20 0.41
EPHA2 P29317 2/20 0.41
AXL P30530 2/20 0.41
FRK P42685 2/20 0.41
MAPK9 P45984 2/20 0.41

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
SCHEMBL620695 0.85 RAF1 (0.53) KDRBRAFRAF1EPHX2MEN1
SCHEMBL6386070 0.84 KDR (0.47) KDRBRAFRAF1EPHX2GCK
SCHEMBL177735 0.83 KDR (0.67) KDRBRAFRAF1EPHX2PLK4
SCHEMBL16651380 0.83 KDR (0.67) KDRBRAFRAF1EPHX2PLK4
SCHEMBL2889234 0.80 GCK (0.52) KDRBRAFRAF1EPHX2GCK
SCHEMBL1642878 0.79 KDR (0.48) KDRBRAFRAF1EPHX2PLK4
SCHEMBL6383415 0.78 KDR (0.47) KDRBRAFRAF1EPHX2PLK4
SCHEMBL8213283 0.77 KDR (0.44) KDRBRAFRAF1EPHX2GCK
SCHEMBL14480928 0.77 KDR (0.56) KDRBRAFRAF1EPHX2PLK4
SCHEMBL4334161 0.77 ALDH1A1 (0.47) KDRBRAFRAF1EPHX2MEN1

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 5 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-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

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-20100081812-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS TYMP, DPYD, TYMS KDR 70/4885BRAF 322/4885RAF1 1469/4885

“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.