SCHEMBL3587954

SCHEMBL3587954

CNc1cc(-n2nc(C)cc2Nc2cc(C(=O)Nc3cncc(C(C)(C)F)c3)ccc2C)ncn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHB2 P29323 1/20 0.43
DDR1 Q08345 1/20 0.43
DDR2 Q16832 1/20 0.43
BRAF P15056 10/20 0.43
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
LCK P06239 4/20 0.41
SRC P12931 3/20 0.41
KIT P10721 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAP4K2 Q12851 1/20 0.41
LYN P07948 3/20 0.40
KDR P35968 3/20 0.40
INSR P06213 2/20 0.40
RAF1 P04049 1/20 0.40
ARAF P10398 1/20 0.40
ABL1 P00519 1/20 0.40
HCK P08631 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
SCHEMBL13503056 0.94 BRAF (0.43) EPHB2DDR1DDR2BRAFLCK
SCHEMBL3583138 0.91 EPHB2 (0.41) EPHB2DDR1DDR2BRAFLCK
SCHEMBL3586452 0.91 BRAF (0.43) BRAFLCKSRCKITLYN
SCHEMBL3590088 0.88 BRAF (0.44) BRAFLCKSRCMAPK14LYN
SCHEMBL3591964 0.87 POLB (0.51) EPHB2DDR1DDR2BRAFPOLB
SCHEMBL3594586 0.86 MAP4K2 (0.49) BRAFPOLBMAPTAPEX1LCK
SCHEMBL9967522 0.86 BRAF (0.48) BRAFPOLBMAPTAPEX1LCK
SCHEMBL3589389 0.86 MAP4K2 (0.48) BRAFPOLBMAPTAPEX1LCK
SCHEMBL3592733 0.86 BRAF (0.46) BRAFPOLBMAPTAPEX1SRC
SCHEMBL3593435 0.86 POLB (0.59) EPHB2DDR1DDR2BRAFPOLB

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 10 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
CN-101522661-A Compounds and compositions as protein kinase inhibitors IRM LLC (VG) 2009-09-02 CN 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 EPHB2 24/4885DDR1 700/4885DDR2 437/4885

“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.