SCHEMBL31095955

SCHEMBL31095955

CSc1nc(NC(O)C=C(C)C)c2[nH]cnc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HSP90AB1 P08238 3/20 0.40
▸ CXCR2 P25025 1/20 0.39
▸ CDK2 P24941 1/20 0.37
▸ MAP3K5 Q99683 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ ADORA1 P30542 3/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ HTR2B P41595 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GDA Q9Y2T3 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL29421093 0.78 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL17372391 0.78 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL31095854 0.78 CYP1A2 (0.57) CYP1A2CYP3A4CDK2HIF1ATSHR
SCHEMBL31096012 0.76 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL31012324 0.75 CYP2C19 (0.63) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL17372399 0.75 CYP2C19 (0.63) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL28672164 0.72 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL1861594 0.72 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL15122014 0.72 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL29727608 0.72 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1

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 2501/4885CYP3A4 3088/4885CYP2D6 2459/4885

“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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