SCHEMBL9967417

SCHEMBL9967417

COc1cc(-n2nc(C)cc2Nc2cc(NC(=O)c3cccc(C)c3)ccc2C)ncn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.54
KDR P35968 6/20 0.51
INSR P06213 5/20 0.51
LYN P07948 5/20 0.51
SRC P12931 5/20 0.51
HCK P08631 3/20 0.51
KCNK3 O14649 4/20 0.50
KCNK9 Q9NPC2 3/20 0.50
MAPK14 Q16539 4/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
KCNH2 Q12809 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
BRAF P15056 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
SCHEMBL3588380 0.90 LCK (0.68) LCKKDRINSRLYNSRC
SCHEMBL9967421 0.89 LCK (0.52) LCKKDRINSRLYNSRC
SCHEMBL9967419 0.89 LCK (0.65) LCKKDRINSRLYNSRC
SCHEMBL9967418 0.88 LCK (0.51) LCKKDRINSRLYNSRC
SCHEMBL9967415 0.87 LCK (0.53) LCKKDRINSRLYNSRC
SCHEMBL9967414 0.84 LCK (0.56) LCKKDRINSRLYNSRC
SCHEMBL9967413 0.83 LCK (0.56) LCKKDRINSRLYNSRC
SCHEMBL9967427 0.83 LCK (0.46) LCKKDRINSRLYNSRC
SCHEMBL9967429 0.83 LCK (0.48) LCKKDRINSRLYNSRC
SCHEMBL9967430 0.82 INSR (0.47) LCKKDRINSRLYNSRC

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-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

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 3/4885KDR 13/4885INSR 931/4885

“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.