SCHEMBL16320645

SCHEMBL16320645

O=C(NC1CCn2cc(-c3ccccc3)nc2C1)c1ccn[nH]1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 9/20 0.56
▸ MAPK8 P45983 1/20 0.46
▸ USP30 Q70CQ3 5/20 0.42
▸ HPGDS O60760 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ WDR5 P61964 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM5A P29375 1/20 0.40

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
SCHEMBL16561340 0.80 PDE10A (0.54) PDE10A
SCHEMBL20842474 0.74 WDR5 (0.52) PDE10AHPGDSALDH1A1WDR5NPC1
SCHEMBL16003544 0.72 PDE10A (1.00) PDE10A
SCHEMBL16003531 0.72 PDE10A (1.00) PDE10A
SCHEMBL16003542 0.72 PDE10A (0.80) PDE10A
SCHEMBL16320654 0.72 PDE10A (0.63) PDE10AHPGDSWDR5
SCHEMBL408909 0.71 WDR5 (0.52) PDE10AALDH1A1WDR5NPC1RAB9A
SCHEMBL16003541 0.71 PDE10A (1.00) PDE10A
SCHEMBL16003699 0.71 PDE10A (0.78) PDE10A
SCHEMBL16003574 0.71 PDE10A (1.00) PDE10A

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-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 — — US disclosed
US-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-14 — — US disclosed
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 — — 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 (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-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A PDE10A 1/4885MAPK8 1764/4885USP30 513/4885
US-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A PDE10A 1/4885MAPK8 1764/4885USP30 513/4885

“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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