SCHEMBL2605679

SCHEMBL2605679

CCc1cc2nccc(C(C)(C)C)c2s1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN3B O60391 7/20 0.36
GRIN1 Q05586 7/20 0.36
GRIN2C Q14957 7/20 0.36
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34
GRIN2D O15399 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL14817495 0.78 GRIN3B (0.42) GRIN3BGRIN1GRIN2CSELEVCAM1
SCHEMBL2602165 0.78 PDPK1 (0.49) GRIN3BGRIN1GRIN2CGRIN2DGRIN2A
SCHEMBL2605752 0.78 GRIN3B (0.47) GRIN3BGRIN1GRIN2CSELEVCAM1
SCHEMBL12806955 0.78 GRIN3B (0.35) GRIN3BGRIN1GRIN2CGRIN2DGRIN2A
SCHEMBL16190318 0.74 GRIN3B (0.45) GRIN3BGRIN1GRIN2C
SCHEMBL13667861 0.74 SELE (0.47) SELEVCAM1ADORA1
SCHEMBL12734111 0.74 GRIN3B (0.36) GRIN3BGRIN1GRIN2CGRIN2DGRIN2A
SCHEMBL14273669 0.72 SELE (0.38) SELEVCAM1ADORA1
SCHEMBL15889701 0.71 MET (0.46)
SCHEMBL15218383 0.71 MAP3K8 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 US disclosed
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2012-05-03 US disclosed
US-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS Mirati Therapeutics, Inc. 2012-04-19 US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 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 (3 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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 GRIN3B 3419/4885GRIN1 3361/4885GRIN2C 2520/4885
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET GRIN3B 2539/4885GRIN1 2656/4885GRIN2C 3308/4885
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET GRIN3B 2539/4885GRIN1 2656/4885GRIN2C 3308/4885

“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.