SCHEMBL21241203

SCHEMBL21241203

Cc1cc(-c2nccs2)nn1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 6/20 0.40
▸ SRC P12931 3/20 0.40
▸ SYK P43405 3/20 0.40
▸ SPHK2 Q9NRA0 1/20 0.40
▸ SPHK1 Q9NYA1 1/20 0.40
▸ ZAP70 P43403 2/20 0.39
▸ STIM1 Q13586 2/20 0.39
▸ ORAI1 Q96D31 2/20 0.39
▸ SMPD3 Q9NY59 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CDK2 P24941 1/20 0.37
▸ PDPK1 O15530 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35

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
SCHEMBL22951305 0.78 STIM1 (0.37) PDE10ASRCSYKSPHK2SPHK1
SCHEMBL24656216 0.78 ADORA3 (0.45) PDE10ASRCSYKSPHK2SPHK1
SCHEMBL768868 0.77 SMPD3 (0.42) PDE10ASRCSYKSPHK2SPHK1
SCHEMBL26639107 0.76 KDM4E (0.44) STIM1ORAI1SMPD3HSP90AA1PDPK1
SCHEMBL1701677 0.76 SMPD3 (0.41) PDE10ASRCSYKSPHK2SPHK1
SCHEMBL21233175 0.71 ALDH1A1 (0.33) —
SCHEMBL21241154 0.71 ALDH1A1 (0.33) —
SCHEMBL16482142 0.70 STIM1 (0.53) SRCSYKZAP70STIM1ORAI1
SCHEMBL10201578 0.70 HSP90AA1 (0.44) PDE10ASRCSYKSPHK2SPHK1
SCHEMBL12320153 0.70 CYP2E1 (0.42) PDE10ASRCSYKSPHK2SPHK1

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-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 — — US disclosed
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 — — US disclosed
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 — — WO 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-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS SPPL2A, SPPL2B, BACE1 PDE10A 3410/4885SRC 2893/4885SYK 3763/4885

“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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