SCHEMBL3823908

SCHEMBL3823908

CSc1cc(-c2cncnc2Nc2cc(NC(=O)OC(C)(C)C)ccc2C)ncn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.40
TEK Q02763 4/20 0.40
MAPK14 Q16539 6/20 0.39
EGFR P00533 6/20 0.37
BRAF P15056 4/20 0.36
LCK P06239 1/20 0.36
AURKB Q96GD4 2/20 0.36
RAF1 P04049 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
CDK1 P06493 1/20 0.36
PRMT1 Q99873 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL13897690 0.88 KDR (0.41) KDRTEKMAPK14EGFRBRAF
SCHEMBL3830032 0.84 KDR (0.39) KDRTEKMAPK14EGFRBRAF
SCHEMBL3828363 0.80 KDR (0.66) KDRTEKMAPK14BRAFLCK
SCHEMBL3829069 0.78 CYP1A2 (0.50) MAPK14EGFRBRAF
SCHEMBL1265068 0.76 TEK (0.65) KDRTEKMAPK14BRAFLCK
SCHEMBL4788880 0.69 BTK (0.43) MAPK14AURKB
SCHEMBL20865561 0.69 ALDH1A1 (0.56)
SCHEMBL3826288 0.69 KDR (0.68) KDRTEKMAPK14BRAFLCK
SCHEMBL13898067 0.67 KDR (0.68) KDRTEKMAPK14BRAFLCK
SCHEMBL3829573 0.67 KDR (0.68) KDRTEKMAPK14BRAFLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-03-12 US disclosed
US-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-03-12 US disclosed
US-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-03-12 US disclosed
WO-2007092531-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-08-16 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-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS SRC, BMX, FYN KDR 95/4885TEK 375/4885MAPK14 265/4885

“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.