SCHEMBL4101070

SCHEMBL4101070

CCOOC(=O)c1cn2ncnc(Cl)c2c1C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.44
KDR P35968 11/20 0.43
MAPK14 Q16539 5/20 0.41
EGFR P00533 3/20 0.40
ERBB2 P04626 3/20 0.40

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
SCHEMBL1226304 0.88 MAP2K1 (0.54) MAP2K1KDRMAPK14EGFRERBB2
SCHEMBL1228138 0.83 KDR (0.55) MAP2K1KDRMAPK14
SCHEMBL27634063 0.78 KDR (0.39) MAP2K1KDRMAPK14
SCHEMBL12728844 0.78 KDR (0.39) MAP2K1KDRMAPK14
SCHEMBL4046095 0.76 EGFR (0.60) MAP2K1KDRMAPK14EGFRERBB2
SCHEMBL12729492 0.75 MAPK14 (0.60) KDRMAPK14
SCHEMBL4046229 0.75 KDR (0.48) MAP2K1KDRMAPK14EGFRERBB2
SCHEMBL13755654 0.75 MAPK14 (0.49) KDRMAPK14
SCHEMBL16716631 0.75 MAP2K1 (0.56) MAP2K1KDRMAPK14EGFRERBB2
SCHEMBL1227597 0.74 MAP2K1 (0.55) MAP2K1KDRMAPK14EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108594-A1 PROCESS FOR PREPARING SALTS OF 4-[[5-[(CYCLOPROPYLAMINO)CARBONYL]-2-METHYLPHENYL]AMINO]-5-METHYL-N-PROPYLPYRROLO[2,1-f][1,2,4]TRIAZINE-6-CARBOXAMIDE AND NOVEL STABLE FORMS PRODUCED THEREIN BRISTOL-MYERS SQUIBB COMPANY 2012-05-03 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 (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-20120108594-A1 PROCESS FOR PREPARING SALTS OF 4-[[5-[(CYCLOPROPYLAMINO)CARBONYL]-2-METHYLPHENYL]AMINO]-5-METHYL-N-PROPYLPYRROLO[2,1-f][1,2,4]TRIAZINE-6-CARBOXAMIDE AND NOVEL STABLE FORMS PRODUCED THEREIN MAPK1, MAP3K1, MAP3K5 MAP2K1 56/4885KDR 2182/4885MAPK14 37/4885

“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.