SCHEMBL3597389

SCHEMBL3597389

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 2/20 0.42
LCK P06239 12/20 0.42
LYN P07948 12/20 0.42
KDR P35968 12/20 0.42
SRC P12931 11/20 0.42
INSR P06213 10/20 0.42
MAP3K7 O43318 1/20 0.41
HCK P08631 9/20 0.41
BRAF P15056 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
APEX1 P27695 1/20 0.40
ABL1 P00519 1/20 0.39

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
SCHEMBL3584243 0.90 LCK (0.44) MAP4K2LCKLYNKDRSRC
SCHEMBL3587976 0.87 MAP4K2 (0.46) MAP4K2LCKLYNKDRSRC
SCHEMBL3594586 0.86 MAP4K2 (0.49) MAP4K2LCKLYNKDRSRC
SCHEMBL3597048 0.86 MAP4K2 (0.48) MAP4K2LCKLYNKDRSRC
SCHEMBL3589389 0.86 MAP4K2 (0.48) MAP4K2LCKLYNKDRSRC
SCHEMBL3594016 0.83 BRAF (0.51) MAP4K2LCKLYNKDRSRC
SCHEMBL3593435 0.83 POLB (0.59) LCKLYNKDRSRCINSR
SCHEMBL3590408 0.83 BRAF (0.47) MAP4K2LCKLYNKDRSRC
SCHEMBL3582783 0.81 LCK (0.46) LCKLYNKDRSRCINSR
SCHEMBL3587554 0.81 POLB (0.45) MAP4K2LCKLYNKDRSRC

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 MAP4K2 50/4885LCK 3/4885LYN 12/4885

“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.