SCHEMBL16700931

SCHEMBL16700931

Cc1ccn(C2CCn3nc(-c4ccccc4)nc3C2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 17/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ PDCD1 Q15116 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36

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
SCHEMBL16003898 0.73 CKS1B (0.40) PDE10APDCD1CD274
Hydrochloric Acid SCHEMBL16341064 0.72 CKS1B (0.40) PDE10APDCD1CD274
SCHEMBL16003887 0.69 PDE10A (0.45) PDE10ANR1H2NR1H3
SCHEMBL16320668 0.69 PDE10A (0.59) PDE10A
SCHEMBL16701251 0.68 PDE10A (0.41) PDE10A
SCHEMBL17001832 0.67 GAA (0.41) DRD2DRD4DRD3
SCHEMBL20854982 0.66 ALDH1A1 (0.47) NPC1RAB9ANR1H2NR1H3PDCD1
SCHEMBL13677263 0.65 HRH4 (0.47) NPC1RAB9ANR1H2NR1H3PDCD1
SCHEMBL16320708 0.65 PDE10A (0.43) PDE10ANR1H2NR1H3
SCHEMBL16969326 0.65 SIGMAR1 (0.36) NPC1RAB9A

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-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

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-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A PDE10A 1/4885NPC1 2151/4885RAB9A 232/4885

“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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