SCHEMBL10284947

SCHEMBL10284947

Cn1c(-c2ccncc2SCC#N)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 4/20 0.43
▸ AGPAT2 O15120 2/20 0.40
▸ PDE2A O00408 2/20 0.39
▸ PDE7A Q13946 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ KIT P10721 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ GPBAR1 Q8TDU6 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL10284683 0.90 AGPAT2 (0.39) PDE10AAGPAT2PDE2APDE7AHTR2B
SCHEMBL166988 0.88 AGPAT2 (0.42) PDE10AAGPAT2PDE2APDE7AHTR2B
SCHEMBL10249343 0.86 TSHR (0.42) PDE10AAGPAT2SMN1; SMN2POLBCA12
SCHEMBL10284943 0.86 PDE10A (0.40) PDE10AAGPAT2PDE2APDE7AHTR2B
SCHEMBL10284948 0.85 POLB (0.45) PDE10APDE2APDE7ASMN1; SMN2POLB
SCHEMBL10284738 0.85 PDE10A (0.39) PDE10AAGPAT2PDE2APDE7AHTR2B
SCHEMBL168094 0.84 PDE10A (0.43) PDE10AAGPAT2PDE2APDE7AHTR2B
SCHEMBL10284547 0.84 PDE10A (0.39) PDE10AAGPAT2PDE2APDE7AHTR2B
SCHEMBL10284534 0.84 PDE10A (0.39) PDE10AAGPAT2PDE2APDE7AHTR2B
SCHEMBL10284421 0.83 POLB (0.40) PDE10AAGPAT2PDE2APDE7AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 — — EP disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 — — US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 — — US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 — — US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 — — 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 PDE10A 4112/4885AGPAT2 3286/4885PDE2A 4247/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 PDE10A 4112/4885AGPAT2 3286/4885PDE2A 4247/4885

“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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