SCHEMBL3592840

SCHEMBL3592840

CNc1cc(-n2nc(C)cc2Nc2cc(C(=O)Nc3cc(C(F)(F)F)ccn3)ccc2C)ncn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.51
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
APEX1 P27695 1/20 0.47
ABL1 P00519 4/20 0.44
SRC P12931 3/20 0.44
GPR52 Q9Y2T5 1/20 0.43
LCK P06239 2/20 0.42
LYN P07948 2/20 0.42
KDR P35968 2/20 0.42
INSR P06213 1/20 0.42
GRM5 P41594 1/20 0.42

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
SCHEMBL3592733 0.94 BRAF (0.46) BRAFPOLBMAPTAPEX1ABL1
SCHEMBL9967530 0.94 BRAF (0.46) BRAFPOLBMAPTAPEX1ABL1
SCHEMBL3583654 0.93 BRAF (0.44) BRAFMAPTSRCLCKLYN
SCHEMBL3587554 0.91 POLB (0.45) BRAFPOLBMAPTAPEX1SRC
SCHEMBL3589118 0.90 BRAF (0.42) BRAF
SCHEMBL3578558 0.90 BRAF (0.41) BRAFMAPT
SCHEMBL3594276 0.88 BRAF (0.55) BRAFPOLBMAPTAPEX1ABL1
SCHEMBL3593435 0.88 POLB (0.59) BRAFPOLBMAPTAPEX1SRC
SCHEMBL3016963 0.87 BRAF (0.51) BRAFPOLBMAPTAPEX1ABL1
SCHEMBL3594586 0.87 MAP4K2 (0.49) BRAFPOLBMAPTAPEX1ABL1

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 9 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-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 11/4885POLB 2427/4885MAPT 1174/4885

“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.