SCHEMBL3587554

SCHEMBL3587554

CNc1cc(-n2nc(C)cc2Nc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3C)ccc2C)ncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
MAPT P10636 1/20 0.45
APEX1 P27695 1/20 0.45
BRAF P15056 8/20 0.44
LCK P06239 3/20 0.44
SRC P12931 2/20 0.44
KIT P10721 1/20 0.44
MAPK14 Q16539 1/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAF1 P04049 1/20 0.43
ARAF P10398 1/20 0.43
KDR P35968 3/20 0.43
LYN P07948 2/20 0.43
INSR P06213 1/20 0.43
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
TEK Q02763 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
SCHEMBL3592840 0.91 BRAF (0.51) POLBMAPTAPEX1BRAFLCK
SCHEMBL3593435 0.90 POLB (0.59) POLBMAPTAPEX1BRAFLCK
SCHEMBL3594586 0.89 MAP4K2 (0.49) POLBMAPTAPEX1BRAFLCK
SCHEMBL3589389 0.88 MAP4K2 (0.48) POLBMAPTAPEX1BRAFLCK
SCHEMBL3577332 0.87 LCK (0.56) BRAFLCKSRCKITKDR
SCHEMBL3597048 0.86 MAP4K2 (0.48) POLBMAPTAPEX1BRAFLCK
SCHEMBL3594016 0.86 BRAF (0.51) POLBMAPTAPEX1BRAFLCK
SCHEMBL3592733 0.85 BRAF (0.46) POLBMAPTAPEX1BRAFSRC
SCHEMBL9967530 0.85 BRAF (0.46) POLBMAPTAPEX1BRAFSRC
SCHEMBL3587976 0.85 MAP4K2 (0.46) POLBMAPTAPEX1BRAFLCK

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 13 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-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
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 POLB 2427/4885MAPT 1174/4885APEX1 4784/4885

“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.