SCHEMBL3590447

SCHEMBL3590447

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nn(C)cc1-c1cc([S+](C)[O-])ncn1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.57
TEK Q02763 2/20 0.57
BRAF P15056 15/20 0.52
CSF1R P07333 3/20 0.51
KIT P10721 3/20 0.51
RAF1 P04049 1/20 0.51
MAPK14 Q16539 2/20 0.50
LCK P06239 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
SCHEMBL9970896 0.89 KDR (0.60) KDRTEKBRAFCSF1RKIT
SCHEMBL3827594 0.87 KDR (0.65) KDRTEKBRAFCSF1RKIT
SCHEMBL3579296 0.86 KDR (0.59) KDRTEKBRAFCSF1RKIT
SCHEMBL3591682 0.86 KDR (0.53) KDRTEKBRAFCSF1RKIT
SCHEMBL3589391 0.84 KDR (0.59) KDRTEKBRAFCSF1RKIT
SCHEMBL3596597 0.81 KDR (0.66) KDRTEKBRAFRAF1MAPK14
SCHEMBL3588959 0.80 LCK (0.59) KDRTEKBRAFRAF1MAPK14
SCHEMBL3588663 0.79 LCK (0.52) KDRTEKBRAFCSF1RKIT
SCHEMBL4698765 0.76 BRAF (0.61) KDRTEKBRAFCSF1RKIT
SCHEMBL13898067 0.76 KDR (0.68) KDRTEKBRAFCSF1RKIT

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 8 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-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
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
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP 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 13/4885TEK 89/4885BRAF 11/4885

“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.