SCHEMBL1105263

SCHEMBL1105263

CCO/N=C/c1c(N)ncnc1N[C@H](C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.44
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
ERBB2 P04626 4/20 0.43
MAP4K4 O95819 1/20 0.42
KRAS P01116 1/20 0.41
SOS1 Q07889 1/20 0.41
TNF P01375 1/20 0.41
RAB9A P51151 1/20 0.41
NOD1 Q9Y239 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FLT3 P36888 1/20 0.41
RET P07949 1/20 0.40
AURKA O14965 2/20 0.39
RPS6KB1 P23443 2/20 0.39
AURKB Q96GD4 1/20 0.39
RORC P51449 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL5005262 1.00 EGFR (0.44) EGFRGALR3NR2F2ERBB2MAP4K4
SCHEMBL1105258 1.00 EGFR (0.44) EGFRGALR3NR2F2ERBB2MAP4K4
SCHEMBL5001608 1.00 EGFR (0.44) EGFRGALR3NR2F2ERBB2MAP4K4
SCHEMBL1095202 0.83 GALR3 (0.50) EGFRGALR3NR2F2MAP4K4KRAS
SCHEMBL1095199 0.83 GALR3 (0.50) EGFRGALR3NR2F2MAP4K4KRAS
SCHEMBL1105337 0.83 GALR3 (0.50) EGFRGALR3NR2F2MAP4K4KRAS
SCHEMBL1095336 0.83 KDR (0.45) EGFRGALR3NR2F2ERBB2LMNA
SCHEMBL1095338 0.83 KDR (0.45) EGFRGALR3NR2F2ERBB2LMNA
SCHEMBL1096449 0.81 FLT3 (0.50) EGFRERBB2FLT3KDR
SCHEMBL1096447 0.81 FLT3 (0.50) EGFRERBB2FLT3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367825-B2 Substituted pyrimidinyl oxime kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-05 US disclosed
US-8367825-B2 Substituted pyrimidinyl oxime kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-05 US disclosed
US-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors BATTISTA KATHLEEN A (US) 2012-06-21 US disclosed
US-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors BATTISTA KATHLEEN A (US) 2012-06-21 US disclosed
US-8153791-B2 substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-10 US disclosed
US-8153791-B2 substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-10 US disclosed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 US disclosed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 US 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-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors MAP3K2, MAP3K1, MAP3K20 EGFR 1201/4885GALR3 3647/4885NR2F2 1709/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 EGFR 1201/4885GALR3 3647/4885NR2F2 1709/4885

“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.