SCHEMBL13878802

SCHEMBL13878802

Cc1ccc(NC(=O)c2cc(OC[C@@H]3CCCN3)cc(C(F)(F)F)c2)cc1NC(=O)c1cnc(Nc2ccccn2)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.44
INSR P06213 2/20 0.44
LYN P07948 2/20 0.44
HCK P08631 2/20 0.44
SRC P12931 2/20 0.44
KDR P35968 2/20 0.44
BRAF P15056 9/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
MAPK14 Q16539 1/20 0.43
CSF1R P07333 3/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
KIT P10721 1/20 0.39
RECQL P46063 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
SCHEMBL13878806 0.78 CSF1R (0.61) LCKLYNHCKSRCBRAF
SCHEMBL13878804 0.78 BRAF (0.60) LCKINSRLYNHCKSRC
SCHEMBL13878805 0.78 LYN (0.55) LCKINSRLYNHCKSRC
SCHEMBL1704383 0.76 MAPK14 (0.53) LCKINSRLYNHCKSRC
SCHEMBL4257822 0.76 SCN9A (0.43) LCKINSRLYNHCKSRC
SCHEMBL13878808 0.76 MAPT (0.75) LCKSRCBRAFMAPTPOLB
SCHEMBL4257816 0.75 BTK (0.42) LCKINSRLYNHCKSRC
SCHEMBL13878794 0.75 LCK (0.55) LCKBRAFMAPTPOLBAPEX1
SCHEMBL13878816 0.74 KIT (0.62) BRAFCSF1RKIT
SCHEMBL13292010 0.73 LYN (0.52) LCKINSRLYNHCKSRC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US disclosed
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US 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-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ABL1, BCR, PDGFRB LCK 56/4885INSR 1466/4885LYN 40/4885

“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.