SCHEMBL3596597

SCHEMBL3596597

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nn(C)cc1-c1cc(NCCN2CCN(C)CC2)ncn1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.66
LCK P06239 12/20 0.66
LYN P07948 11/20 0.66
SRC P12931 11/20 0.66
INSR P06213 10/20 0.66
HCK P08631 10/20 0.66
BRAF P15056 7/20 0.56
TEK Q02763 1/20 0.53
RAF1 P04049 1/20 0.50
MAPK14 Q16539 1/20 0.50

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
SCHEMBL3588959 0.93 LCK (0.59) KDRLCKLYNSRCINSR
SCHEMBL9967393 0.91 INSR (0.57) KDRLCKLYNSRCINSR
SCHEMBL3827237 0.90 KDR (0.66) KDRLCKLYNSRCINSR
SCHEMBL3584384 0.87 LCK (0.66) KDRLCKLYNSRCINSR
SCHEMBL3822873 0.86 KDR (0.66) KDRLCKLYNSRCINSR
SCHEMBL3827627 0.85 KDR (0.59) KDRLCKLYNSRCINSR
SCHEMBL3589391 0.85 KDR (0.59) KDRLCKLYNSRCINSR
SCHEMBL3821636 0.85 LCK (0.66) KDRLCKLYNSRCINSR
SCHEMBL9967394 0.84 MAPK14 (0.53) KDRLCKLYNSRCINSR
SCHEMBL3829904 0.84 KDR (0.65) KDRLCKLYNSRCINSR

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 5 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 claimed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US claimed
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
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK KDR 13/4885LCK 3/4885LYN 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.