SCHEMBL31019203

SCHEMBL31019203

c1ccc2nc(NC3CCOC3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 4/20 0.52
▸ NCF1 P14598 1/20 0.46
▸ DDB1 Q16531 1/20 0.46
▸ CRBN Q96SW2 1/20 0.46
▸ MKNK1 Q9BUB5 6/20 0.44
▸ MKNK2 Q9HBH9 6/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPK10 P53779 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ PDE1A P54750 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ PDE1C Q14123 1/20 0.38
▸ PTGES O14684 1/20 0.38

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
SCHEMBL31019211 0.91 PDE10A (0.47) PDE10ANCF1DDB1CRBNMKNK1
SCHEMBL30824493 0.91 PDE10A (0.59) PDE10ANCF1DDB1CRBNMKNK1
SCHEMBL31620776 0.82 NCF1 (0.57) PDE10ANCF1DDB1CRBNMCHR1
SCHEMBL24092000 0.79 MCHR1 (0.57) PDE10ANCF1DDB1CRBNMCHR1
SCHEMBL16666168 0.79 NPC1 (0.56) PDE10ANCF1DDB1CRBNMCHR1
SCHEMBL29911218 0.79 MCHR1 (0.57) PDE10ANCF1DDB1CRBNMCHR1
SCHEMBL9056686 0.78 NPC1 (0.59) PDE10ANCF1DDB1CRBNMCHR1
SCHEMBL30406501 0.77 MKNK1 (0.54) PDE10AMKNK1MKNK2MAPK10
Hydrochloric Acid SCHEMBL8852766 0.76 NPC1 (0.57) PDE10ANCF1DDB1CRBNMCHR1
SCHEMBL7698523 0.75 NPC1 (0.49) PDE10ANCF1DDB1CRBNMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240245673-A1 Papain-like protease (PLpro) inhibitors PFIZER INC. (US) 2024-07-25 — — 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 (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-20240245673-A1 Papain-like protease (PLpro) inhibitors PREP, PEPD, ACE PDE10A 2958/4885NCF1 3667/4885DDB1 2690/4885

“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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