SCHEMBL13647736

SCHEMBL13647736

CCNc1ncn(-c2ccncn2)n1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.33
▸ SORD Q00796 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RPS6KA5 O75582 1/20 0.31
▸ CYP17A1 P05093 1/20 0.31
▸ CCNA2 P20248 1/20 0.30
▸ CCNO P22674 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 1/20 0.30
▸ MKNK1 Q9BUB5 1/20 0.30
▸ MKNK2 Q9HBH9 1/20 0.30
▸ ELOVL1 Q9BW60 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
SCHEMBL13647760 0.81 KDM4E (0.37) POLBGAAKDM4ELMNAHPGD
SCHEMBL13647727 0.80 GRM5 (0.40) POLBKDM4EALDH1A1
SCHEMBL13647766 0.76 ALOX15 (0.37) POLBGAA
SCHEMBL12779039 0.72 FLT3 (0.40) PDE10ACCNA2CCNOCCNE1CDK2
SCHEMBL13647738 0.72 POLB (0.36) POLBGAAKDM4ELMNAHPGD
SCHEMBL13647730 0.72 SMN1; SMN2 (0.45) KDM4EHPGDALDH1A1
SCHEMBL18278727 0.70 HSP90AA1 (0.42) SORDRPS6KA5CYP17A1CDK2ELOVL1
SCHEMBL12779049 0.70 CCNA2 (0.36) PDE10ASORDCCNA2CCNOCCNE1
SCHEMBL13647740 0.70 HRH3 (0.43) PDE10ASORDPOLBKDM4EALDH1A1
SCHEMBL13647733 0.68 GAA (0.33) POLBGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598245-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 — — US disclosed
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-04-24 — — US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 — — 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-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP3K1 PDE10A 1401/4885SORD 3064/4885POLB 1763/4885

“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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