SCHEMBL802679

SCHEMBL802679

Cc1ccccc1-c1cc2cccnc2c(Nc2n[nH]c3ccccc23)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 18/20 0.44
CCR1 P32246 1/20 0.42
CCR8 P51685 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL801648 0.86 SYK (0.44) GRM4
SCHEMBL805598 0.84 GRM4 (0.46) GRM4
SCHEMBL802674 0.82 GSK3A (0.44) GRM4
SCHEMBL802274 0.80 PIK3CA (0.42) GRM4
SCHEMBL802049 0.80 GRM4 (0.53) GRM4
SCHEMBL802508 0.78 PDE4A (0.43) GRM4CCR1CCR8PDE4APDE4D
SCHEMBL801887 0.77 CYP1A2 (0.41) GRM4
SCHEMBL802350 0.76 EGFR (0.41) GRM4
SCHEMBL802280 0.76 FADS1 (0.42) GRM4
SCHEMBL802326 0.76 FADS1 (0.48) GRM4

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-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 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 (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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GRM4 3726/4885CCR1 2010/4885CCR8 2533/4885

“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.