SCHEMBL31096012

SCHEMBL31096012

CSc1nc(NCC=C(C)C)c2[nH]cnc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.62
▸ CDK2 P24941 2/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ TSHR P16473 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HSP90AB1 P08238 3/20 0.40
▸ MAPT P10636 1/20 0.39
▸ CDK1 P06493 3/20 0.38
▸ SYK P43405 1/20 0.38
▸ HIF1A Q16665 1/20 0.37
▸ MAP3K5 Q99683 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ CXCR2 P25025 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
SCHEMBL30523368 0.82 CYP1A2 (0.65) CYP1A2CDK2TSHRRECQLMAPT
SCHEMBL30523383 0.82 CYP1A2 (0.65) CYP1A2CDK2CYP3A4CYP2D6CYP2C19
SCHEMBL30523426 0.82 CYP1A2 (0.65) CYP1A2CDK2CYP3A4CYP2D6CYP2C19
SCHEMBL30523391 0.82 CYP1A2 (0.65) CYP1A2CDK2CYP3A4CYP2D6CYP2C19
SCHEMBL30523416 0.82 CYP1A2 (0.65) CYP1A2CDK2CYP3A4CYP2D6CYP2C19
SCHEMBL9385851 0.82 CYP1A2 (0.65) CYP1A2CDK2CYP3A4CYP2D6CYP2C19
SCHEMBL30523393 0.80 CYP1A2 (0.62) CYP1A2CDK2CYP3A4CYP2D6CYP2C19
SCHEMBL29404312 0.79 CYP3A4 (0.67) CYP1A2CDK2CYP3A4CYP2D6CYP2C19
SCHEMBL101669 0.79 CYP3A4 (0.67) CYP1A2CDK2CYP3A4CYP2D6CYP2C19
SCHEMBL459276 0.77 CYP1A2 (1.00) CYP1A2CDK2CYP3A4CYP2D6TSHR

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-20250108007-A1 LIPID COMPOUND AND LIPID NANOPARTICLE COMPOSITION Suzhou Abogen Biosciences Co., Ltd. (CN) 2025-04-03 — — US disclosed
EP-4424670-A1 LIPID COMPOUND AND LIPID NANOPARTICLE COMPOSITION Suzhou Abogen Biosciences Co., Ltd. (CN) 2024-09-04 — — EP 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-20250108007-A1 LIPID COMPOUND AND LIPID NANOPARTICLE COMPOSITION CETP, NPC1, LCAT CYP1A2 2501/4885CDK2 4458/4885CYP3A4 3088/4885

“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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