SCHEMBL30730843

SCHEMBL30730843

CN(C)C(=O)c1cnc2[nH]c(C3CC3)c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.42
CCNA2 P20248 4/20 0.39
CDK2 P24941 4/20 0.39
CCNA1 P78396 4/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
NPC1 O15118 4/20 0.37
IP6K1 Q92551 1/20 0.37
IP6K3 Q96PC2 1/20 0.37
IP6K2 Q9UHH9 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 3/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 3/20 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
SCHEMBL22553743 1.00 CYP11B2 (0.42) CYP11B2CCNA2CDK2CCNA1CCNB2
SCHEMBL22553766 0.89 CYP11B2 (0.44) CYP11B2NPC1IP6K1IP6K3IP6K2
SCHEMBL22554215 0.86 CYP11B2 (0.42) CYP11B2CCNA2CDK2CCNA1CCNB2
SCHEMBL22553789 0.84 CD38 (0.37) CYP11B2CCNA2CDK2CCNA1CCNB2
SCHEMBL30777555 0.84 CCNA2 (0.41) CYP11B2CCNA2CDK2CCNA1CCNB2
SCHEMBL30777580 0.84 CD38 (0.37) CYP11B2CCNA2CDK2CCNA1CCNB2
SCHEMBL22553967 0.84 CCNA2 (0.41) CYP11B2CCNA2CDK2CCNA1CCNB2
SCHEMBL30730808 0.83 CYP11B2 (0.44) CYP11B2CCNA2CDK2CCNA1CCNB2
SCHEMBL22553996 0.83 CYP11B2 (0.44) CYP11B2CCNA2CDK2CCNA1CCNB2
SCHEMBL22554043 0.81 MAP4K1 (0.48) CYP11B2NPC1IP6K1IP6K3IP6K2

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
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN claimed
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 US disclosed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN 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-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C CYP11B2 3643/4885CCNA2 1786/4885CDK2 307/4885

“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.