SCHEMBL3585854

SCHEMBL3585854

CNc1cc(-n2nc(C)cc2Nc2cc(C(=O)Nc3cccc(C(C)(C)C)c3)ccc2C)ncn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.54
LYN P07948 3/20 0.54
KDR P35968 3/20 0.54
INSR P06213 2/20 0.54
SRC P12931 2/20 0.54
HCK P08631 1/20 0.54
BRAF P15056 10/20 0.50
RAF1 P04049 1/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 1/20 0.49
APEX1 P27695 1/20 0.49
MAPK14 Q16539 2/20 0.47

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
SCHEMBL3591964 0.94 POLB (0.51) LCKLYNKDRINSRSRC
SCHEMBL3593435 0.93 POLB (0.59) LCKLYNKDRINSRSRC
SCHEMBL3578376 0.92 BRAF (0.53) LCKLYNKDRINSRSRC
SCHEMBL13503056 0.89 BRAF (0.43) LCKLYNKDRINSRSRC
SCHEMBL3643748 0.88 BRAF (0.55) LCKLYNKDRINSRSRC
SCHEMBL3594891 0.88 LCK (0.47) LCKLYNKDRINSRSRC
SCHEMBL3583654 0.88 BRAF (0.44) LCKLYNKDRINSRSRC
SCHEMBL3594090 0.87 LCK (0.50) LCKLYNKDRINSRSRC
SCHEMBL3590773 0.87 BRAF (0.47) LCKLYNKDRINSRSRC
SCHEMBL3021604 0.87 LCK (0.57) LCKLYNKDRINSRSRC

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
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 LCK 3/4885LYN 12/4885KDR 13/4885

“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.