SCHEMBL3587207

SCHEMBL3587207

CNc1cc(-n2nc(C)cc2Nc2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.56
MAPK14 Q16539 16/20 0.56
BRAF P15056 10/20 0.56
TNNI3K Q59H18 15/20 0.54
RAF1 P04049 2/20 0.51
MAPK3 P27361 1/20 0.51
LCK P06239 2/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
APEX1 P27695 1/20 0.45
INSR P06213 1/20 0.45
LYN P07948 1/20 0.45
HCK P08631 1/20 0.45
SRC P12931 1/20 0.45

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
SCHEMBL3591990 0.94 KDR (0.54) KDRMAPK14BRAFTNNI3KRAF1
SCHEMBL3593435 0.90 POLB (0.59) KDRMAPK14BRAFLCKPOLB
SCHEMBL3577332 0.90 LCK (0.56) KDRBRAFLCKINSRLYN
SCHEMBL9970921 0.89 BRAF (0.51) KDRMAPK14BRAFTNNI3KRAF1
SCHEMBL3017721 0.87 KDR (0.56) KDRMAPK14BRAFTNNI3KRAF1
SCHEMBL3596820 0.87 BRAF (0.49) KDRBRAFRAF1MAPK3LCK
SCHEMBL3588170 0.86 KDR (0.42) KDRMAPK14BRAFTNNI3KRAF1
SCHEMBL3593254 0.86 BRAF (0.48) KDRMAPK14BRAFTNNI3KRAF1
SCHEMBL3594600 0.86 BRAF (0.60) KDRMAPK14BRAFRAF1MAPK3
SCHEMBL3592374 0.85 MAP4K2 (0.55) KDRMAPK14BRAFTNNI3KRAF1

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 11 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
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO claimed
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
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
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 13/4885MAPK14 337/4885BRAF 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.