SCHEMBL9970917

SCHEMBL9970917

CNc1cc(-n2nccc2Nc2cc(NC(=O)c3cccc(C(C)(C)OCI)c3)ccc2C)ncn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.46
KDR P35968 15/20 0.46
LYN P07948 14/20 0.46
SRC P12931 14/20 0.46
HCK P08631 12/20 0.46
INSR P06213 12/20 0.45
BRAF P15056 4/20 0.42
CYP2C9 P11712 1/20 0.42
TEK Q02763 1/20 0.42

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
SCHEMBL3596315 0.91 LCK (0.47) LCKKDRLYNSRCHCK
SCHEMBL9970918 0.91 LCK (0.46) LCKKDRLYNSRCHCK
SCHEMBL9970882 0.91 MAPK14 (0.43) LCKKDRLYNSRCHCK
SCHEMBL3588215 0.89 LCK (0.47) LCKKDRLYNSRCHCK
SCHEMBL3591439 0.88 LCK (0.49) LCKKDRLYNSRCHCK
SCHEMBL3592667 0.87 KDR (0.55) LCKKDRLYNSRCHCK
SCHEMBL3590819 0.87 BRAF (0.58) BRAFCYP2C9
SCHEMBL9967420 0.85 LCK (0.51) LCKKDRLYNSRCHCK
SCHEMBL3587482 0.83 MAPK14 (0.46) LCKKDRLYNSRCHCK
SCHEMBL3591361 0.83 LMNA (0.48) BRAFTEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK LCK 3/4885KDR 13/4885LYN 12/4885

“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.