SCHEMBL3596820

SCHEMBL3596820

CNc1cc(-n2nc(C)cc2Nc2cc(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.49
RAF1 P04049 3/20 0.45
MAPK3 P27361 2/20 0.45
KDR P35968 8/20 0.44
KCNJ6 P48051 3/20 0.44
KCNJ5 P48544 3/20 0.44
KCNJ3 P48549 3/20 0.44
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
LYN P07948 1/20 0.41
KIT P10721 1/20 0.41
SRC P12931 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
FLT3 P36888 1/20 0.41
BLK P51451 1/20 0.41
ARAF P10398 1/20 0.41

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
SCHEMBL9970921 0.94 BRAF (0.51) BRAFRAF1MAPK3KDRABL1
SCHEMBL3588731 0.91 BRAF (0.53) BRAFRAF1ARAF
SCHEMBL3593254 0.91 BRAF (0.48) BRAFRAF1MAPK3KDRABL1
SCHEMBL3594600 0.91 BRAF (0.60) BRAFRAF1MAPK3KDRARAF
SCHEMBL9970888 0.88 BRAF (0.45) BRAFRAF1MAPK3KDRKCNJ6
SCHEMBL3587207 0.87 KDR (0.56) BRAFRAF1MAPK3KDRLCK
SCHEMBL3010053 0.87 BRAF (0.49) BRAFRAF1MAPK3KDRABL1
SCHEMBL3591990 0.84 KDR (0.54) BRAFRAF1MAPK3KDR
SCHEMBL9970887 0.84 BRAF (0.48) BRAFRAF1MAPK3KDRABL1
SCHEMBL3584634 0.84 BRAF (0.41) BRAFRAF1MAPK3KDRKCNJ6

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 BRAF 11/4885RAF1 10/4885MAPK3 240/4885

“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.