SCHEMBL17285582

SCHEMBL17285582

Cc1cc(C)n2nc(-c3ccc4c(c3)nc(-c3ccccn3)n4C)nc2n1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 11/20 0.75
▸ CA12 O43570 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ALOX5AP P20292 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP19A1 P11511 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
SCHEMBL17285659 0.92 PDE10A (0.77) PDE10ACA12CA9SMN1; SMN2NPC1
SCHEMBL17285581 0.86 PDE10A (1.00) PDE10ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL10993565 0.79 PDE10A (0.73) PDE10ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL17285632 0.78 PDE10A (0.85) PDE10ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL17275553 0.78 PDE10A (1.00) PDE10ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL12354513 0.73 CA12 (0.66) PDE10ACA12CA9SMN1; SMN2NPC1
SCHEMBL10987505 0.70 SMN1; SMN2 (0.62) PDE10ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL10988413 0.70 SMN1; SMN2 (0.58) PDE10ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL172248 0.70 CYP19A1 (0.61) CA12CA9SMN1; SMN2NPC1RAB9A
SCHEMBL17275587 0.70 PDE10A (1.00) PDE10ASMN1; SMN2NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10138245-B2 Fused triazole derivatives as phosphodiesterase 10A inhibitors CELON PHARMA S.A. (PL) 2018-11-27 — — US disclosed
EP-3145930-B1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS Celon Pharma Sa (PL) 2018-07-04 — — EP disclosed
EP-3145930-B1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS Celon Pharma Sa (PL) 2018-07-04 — — EP disclosed
US-20170114064-A1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS CELON PHARMA S.A. (PL) 2017-04-27 — — US disclosed
US-20170114064-A1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS CELON PHARMA S.A. (PL) 2017-04-27 — — US disclosed
US-20170114064-A1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS CELON PHARMA S.A. (PL) 2017-04-27 — — US disclosed
WO-2015177688-A1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS CELON PHARMA S.A. (PL) 2015-11-26 — — WO 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 (2 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-10138245-B2 Fused triazole derivatives as phosphodiesterase 10A inhibitors PDE3B, PDE3A, PDE5A PDE10A 7/4885CA12 4602/4885CA9 1927/4885
US-20170114064-A1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS PDE3B, PDE3A, PDE5A PDE10A 7/4885CA12 4602/4885CA9 1927/4885

“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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