SCHEMBL29501236

SCHEMBL29501236

COc1ncccc1-c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.50
▸ PDE10A Q9Y233 1/20 0.48
▸ DHODH Q02127 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ AURKA O14965 1/20 0.46
▸ TTK P33981 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ INCENP Q9NQS7 1/20 0.46
▸ NAAA Q02083 1/20 0.46
▸ ALOX5AP P20292 1/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ SQOR Q9Y6N5 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ APLNR P35414 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43

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
SCHEMBL13422264 0.88 DHODH (0.53) BTKDHODHLOXL2NAAAALOX5AP
SCHEMBL4056518 0.85 DHODH (0.54) BTKDHODHLOXL2NAAAALOX5AP
SCHEMBL12864093 0.85 NPC1 (0.55) BTKDHODHLOXL2NAAAALOX5AP
SCHEMBL15674574 0.83 DHODH (0.47) BTKPDE10ADHODHLOXL2NAAA
SCHEMBL30108242 0.83 CYP2A6 (0.50) BTKPDE10AALOX5APFEN1NPC1
SCHEMBL15674356 0.83 NPC1 (0.56) BTKPDE10ADHODHLOXL2NAAA
SCHEMBL2037809 0.83 BTK (0.46) BTKDHODHLOXL2NAAAALOX5AP
SCHEMBL970744 0.83 ALOX5AP (0.49) BTKDHODHLOXL2NAAAALOX5AP
SCHEMBL29501268 0.83 NPC1 (0.56) BTKPDE10ADHODHLOXL2NAAA
SCHEMBL29889828 0.81 PDE10A (0.53) PDE10AMAPT

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
US-20250122172-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC 2025-04-17 — — US disclosed
CN-118843626-A Heterocyclic compounds as DYRK1A inhibitors 普罗塞纳生物科学有限公司 2024-10-25 — — CN disclosed
US-20230075774-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-03-09 — — US disclosed
CN-115461120-A Sulfonylimide compounds as NLRP3 modulators 豪夫迈·罗氏有限公司 2022-12-09 — — CN disclosed
US-11279691-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors DART NEUROSCIENCE LLC (US) 2022-03-22 — — 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 (3 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-20250122172-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D BTK 2059/4885PDE10A 18/4885DHODH 1054/4885
US-20230075774-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D BTK 2059/4885PDE10A 18/4885DHODH 1054/4885
US-11279691-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors PDE4A, PDE4B, PDE4D BTK 2050/4885PDE10A 17/4885DHODH 1080/4885

“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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