SCHEMBL1095277

SCHEMBL1095277

Nc1cc(Nc2ccc(F)c(Cl)c2)ncn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.61
GRM1 Q13255 1/20 0.60
SCN9A Q15858 1/20 0.58
EGFR P00533 9/20 0.56
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNA2 P20248 1/20 0.50
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
ERBB2 P04626 3/20 0.48
KMO O15229 1/20 0.47
SOS1 Q07889 1/20 0.47
AURKA O14965 2/20 0.46
BRAF P15056 1/20 0.46
INSR P06213 1/20 0.46
FBP1 P09467 1/20 0.46
PDGFRB P09619 1/20 0.46
FLT4 P35916 1/20 0.46

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
SCHEMBL690919 0.86 NPC1 (0.55) MAPK1GRM1EGFRERBB2KMO
SCHEMBL7775667 0.86 EGFR (0.60) MAPK1GRM1SCN9AEGFRKMO
SCHEMBL2837168 0.84 EGFR (0.56) MAPK1GRM1EGFRERBB2AURKA
SCHEMBL691649 0.84 EGFR (0.55) MAPK1GRM1SCN9AEGFRERBB2
SCHEMBL7775673 0.83 EGFR (0.57) MAPK1GRM1EGFRKMOKDR
SCHEMBL1387327 0.82 APP (0.62) MAPK1GRM1EGFRERBB2AURKA
SCHEMBL7771255 0.82 EGFR (0.62) MAPK1GRM1EGFRAURKAKDR
SCHEMBL28056977 0.80 EGFR (0.55) MAPK1GRM1EGFRERBB2AURKA
SCHEMBL2204671 0.79 EGFR (0.54) MAPK1GRM1EGFRERBB2AURKA
SCHEMBL1387236 0.79 NPC1 (0.66) MAPK1GRM1EGFRERBB2AURKA

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-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 claimed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 US claimed
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-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

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 MAPK1 31/4885GRM1 2144/4885SCN9A 3830/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 MAPK1 31/4885GRM1 2144/4885SCN9A 3830/4885

“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.