SCHEMBL3589389

SCHEMBL3589389

CNc1cc(-n2nc(C)cc2Nc2cc(C(=O)Nc3cc(F)cc(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 2/20 0.48
MAP3K7 O43318 1/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
APEX1 P27695 1/20 0.46
BRAF P15056 5/20 0.46
LCK P06239 7/20 0.44
LYN P07948 6/20 0.44
KDR P35968 6/20 0.44
SRC P12931 6/20 0.44
INSR P06213 5/20 0.44
HCK P08631 4/20 0.44
ABL1 P00519 2/20 0.44
RAF1 P04049 1/20 0.43
ARAF P10398 1/20 0.43
KIT P10721 1/20 0.42
MAPK14 Q16539 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
SCHEMBL3594586 0.94 MAP4K2 (0.49) MAP4K2MAP3K7POLBMAPTAPEX1
SCHEMBL3597048 0.91 MAP4K2 (0.48) MAP4K2MAP3K7POLBMAPTAPEX1
SCHEMBL3594016 0.91 BRAF (0.51) MAP4K2MAP3K7POLBMAPTAPEX1
SCHEMBL3593435 0.90 POLB (0.59) POLBMAPTAPEX1BRAFLCK
SCHEMBL3587976 0.90 MAP4K2 (0.46) MAP4K2MAP3K7POLBMAPTAPEX1
SCHEMBL3590408 0.89 BRAF (0.47) MAP4K2MAP3K7BRAFLCKLYN
SCHEMBL3587554 0.88 POLB (0.45) MAP4K2POLBMAPTAPEX1BRAF
SCHEMBL3580903 0.88 MAP4K2 (0.65) MAP4K2BRAFLCKLYNKDR
SCHEMBL3597820 0.87 MAP4K2 (0.52) MAP4K2MAP3K7BRAFLCKLYN
SCHEMBL3580707 0.87 MAP3K7 (0.65) MAP4K2MAP3K7BRAFLCKLYN

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 12 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

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 MAP4K2 50/4885MAP3K7 37/4885POLB 2427/4885

“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.