SCHEMBL2511289

SCHEMBL2511289

C[C@@H](c1ccccc1)n1c(=O)[nH]c2ncc(-c3cccc4ncccc34)cc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 13/20 0.44
GRIN2B Q13224 13/20 0.44
ACVR1 Q04771 3/20 0.44
FYN P06241 1/20 0.42
PRKCQ Q04759 2/20 0.40
PRKCA P17252 1/20 0.40
USP1 O94782 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
SCHEMBL481641 1.00 GRIN1 (0.44) GRIN1GRIN2BACVR1FYNPRKCQ
SCHEMBL481699 1.00 GRIN1 (0.44) GRIN1GRIN2BACVR1FYNPRKCQ
SCHEMBL2507320 0.89 ACVR1 (0.45) GRIN1GRIN2BACVR1
SCHEMBL481704 0.80 FYN (0.55) ACVR1FYNUSP1
SCHEMBL481377 0.80 USP1 (0.46) ACVR1FYNUSP1
SCHEMBL481376 0.80 USP1 (0.46) ACVR1FYNUSP1
SCHEMBL481660 0.80 USP1 (0.46) ACVR1FYNUSP1
SCHEMBL481543 0.80 FYN (0.55) ACVR1FYNUSP1
SCHEMBL481545 0.80 FYN (0.55) ACVR1FYNUSP1
SCHEMBL481616 0.76 USP1 (0.43) ACVR1FYNUSP1

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-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA GRIN1 2710/4885GRIN2B 2853/4885ACVR1 3419/4885

“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.