SCHEMBL30730834

SCHEMBL30730834

O=C1CCCN1c1ccc(-c2cncc(-c3c4n(c5ncncc35)CCC4)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 2/20 0.39
CD38 P28907 1/20 0.39
NPC1 O15118 1/20 0.38
CYP11B2 P19099 3/20 0.37
SYK P43405 4/20 0.36
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
IP6K2 Q9UHH9 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP11B1 P15538 2/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL22554068 1.00 PIP4K2A (0.39) PIP4K2ACD38NPC1CYP11B2SYK
SCHEMBL22553864 0.87 ALOX5AP (0.39) PIP4K2ACD38NPC1CYP11B2IP6K1
SCHEMBL22553888 0.86 NPC1 (0.46) PIP4K2ACD38NPC1CYP11B2IP6K1
SCHEMBL30730785 0.86 NPC1 (0.46) PIP4K2ACD38NPC1CYP11B2IP6K1
SCHEMBL22553796 0.82 NPC1 (0.36) PIP4K2ACD38NPC1CYP11B2SYK
SCHEMBL22578287 0.82 NPC1 (0.36) CD38NPC1CYP11B2SYKIP6K1
SCHEMBL30730836 0.78 PIP4K2A (0.46) PIP4K2ACD38NPC1CYP11B2SYK
SCHEMBL22553919 0.78 PIP4K2A (0.46) PIP4K2ACD38NPC1CYP11B2SYK
SCHEMBL22553858 0.75 CD38 (0.45) PIP4K2ACD38NPC1CYP11B2SYK
SCHEMBL30730850 0.75 CD38 (0.45) PIP4K2ACD38NPC1CYP11B2SYK

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 PIP4K2A 4/4885CD38 1967/4885NPC1 1648/4885

“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.