SCHEMBL16302832

SCHEMBL16302832

CCCn1ccc2ncc(-c3ccccc3)cc21

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 20/20 0.61
▸ GRIN1 Q05586 1/20 0.53

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
SCHEMBL16302833 0.82 GRIN2B (0.53) GRIN2BGRIN1
SCHEMBL16302842 0.81 GRIN2B (0.59) GRIN2BGRIN1
SCHEMBL16302761 0.78 GRIN2B (0.50) GRIN2BGRIN1
SCHEMBL18363574 0.76 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL17754800 0.72 GRIN2B (0.60) GRIN2BGRIN1
SCHEMBL18363360 0.72 GRIN2B (1.00) GRIN2B
SCHEMBL18363215 0.71 GRIN2B (1.00) GRIN2B
SCHEMBL18363491 0.71 GRIN2B (1.00) GRIN2B
SCHEMBL18363310 0.71 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL7975279 0.70 RPS6KA5 (0.40) GRIN2BGRIN1

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-8912330-B2 Azaindole derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-12-16 — — US disclosed
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 — — 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-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 GRIN2B 797/4885GRIN1 767/4885

“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.

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