SCHEMBL25311368

SCHEMBL25311368

O=C(c1ccnc(Nc2ccccc2)n1)N1CCC2(CC1)CCN(C(=O)c1ccnc(Nc3ccccn3)n1)CC2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.47
CYP3A4 P08684 9/20 0.46
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
TSHR P16473 3/20 0.44
CYP2D6 P10635 6/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP2C19 P33261 3/20 0.43
USP2 O75604 2/20 0.43
GRM5 P41594 1/20 0.42
HSD17B10 Q99714 4/20 0.42
CYP2C9 P11712 2/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL25879087 0.92 L3MBTL1 (0.49) GSK3AGSK3BGRM5AURKAAURKB
SCHEMBL25311511 0.92 CYP1A2 (0.53) CYP1A2CYP3A4GSK3AGSK3BTSHR
SCHEMBL29466324 0.92 CYP1A2 (0.53) CYP1A2CYP3A4GSK3AGSK3BTSHR
SCHEMBL25314515 0.89 AURKA (0.47) CYP1A2CYP3A4GSK3AGSK3BTSHR
SCHEMBL29466329 0.88 CYP3A4 (0.43) CYP1A2CYP3A4TSHRCYP2D6ALDH1A1
SCHEMBL25311802 0.86 CYP1A2 (0.54) CYP1A2CYP3A4GSK3AGSK3BTSHR
SCHEMBL25882324 0.86 CYP1A2 (0.47) CYP1A2CYP3A4GSK3AGSK3BTSHR
SCHEMBL29466335 0.84 GSK3A (0.50) GSK3AGSK3BAURKAAURKBMAPK1
SCHEMBL25882561 0.84 GSK3A (0.50) GSK3AGSK3BAURKAAURKBMAPK1
SCHEMBL29466315 0.83 EPHX2 (0.47) GSK3AGSK3BMAPK1

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-20240101552-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-03-28 US disclosed
EP-4215526-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-07-26 EP disclosed
EP-4215526-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-07-26 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-20240101552-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF LANCL2, CBS, LCP2 CYP1A2 4506/4885CYP3A4 4791/4885GSK3A 2514/4885

“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.