SCHEMBL25201466

SCHEMBL25201466

COC(=O)c1cc(C)nc(-n2ccnc2)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
CD38 P28907 11/20 0.46
MAPT P10636 1/20 0.45
RBP4 P02753 3/20 0.44
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP1A2 P05177 2/20 0.43
NOS2 P35228 1/20 0.41

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
SCHEMBL30335881 1.00 HTT (0.49) HTTCD38MAPTRBP4CYP2C19
SCHEMBL25485897 0.86 KDM4E (0.45) CD38MAPTCYP2C19CYP2D6CYP2B6
SCHEMBL31005861 0.85 L3MBTL1 (0.41) HTTCD38RBP4CYP2C19CYP1A2
SCHEMBL25189627 0.84 CD38 (0.46) CD38RBP4CYP2C19CYP2D6CYP1A2
SCHEMBL30261776 0.84 CD38 (0.46) CD38RBP4CYP2C19CYP2D6CYP1A2
SCHEMBL3559627 0.84 CD38 (0.46) CD38CYP2C19CYP1A2NOS2
SCHEMBL3566113 0.83 CD38 (0.45) CD38CYP2C19CYP2D6CYP1A2NOS2
SCHEMBL25187654 0.83 HTT (0.46) HTTCD38MAPTCYP2C19CYP2D6
SCHEMBL31005860 0.83 HTT (0.46) HTTCD38MAPTCYP2C19CYP2D6
SCHEMBL3558150 0.82 CD38 (0.47) CD38CYP2C19CYP2D6CYP2B6CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250019369-A1 N-(4-aminocyclohexyl)pyrimidine-4-carboxamide derivatives as CD38 inhibitors Cerevance, Inc. (US) 2025-01-16 US disclosed
EP-4430034-A1 N-(4-AMINOCYCLOHEXYL)PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AS CD38 INHIBITORS Cerevance, Inc. (US) 2024-09-18 EP disclosed
CN-118317955-A N- (4-aminocyclohexyl) pyrimidine-4-carboxamide as CD38 inhibitor 塞里文斯股份有限公司 2024-07-09 CN disclosed
WO-2023084206-A1 N-(4-AMINOCYCLOHEXYL)PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AS CD38 INHIBITORS CEREVANCE LTD (GB) 2023-05-19 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-20250019369-A1 N-(4-aminocyclohexyl)pyrimidine-4-carboxamide derivatives as CD38 inhibitors CD38, CXCR4, P2RY1 HTT 2007/4885CD38 1/4885MAPT 4241/4885

“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.