SCHEMBL30730820

SCHEMBL30730820

Cc1noc2nccc(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
NPC1 O15118 2/20 0.37
PIP4K2A P48426 2/20 0.36
PIP4K2C Q8TBX8 1/20 0.36
CYP11B2 P19099 2/20 0.36
CD38 P28907 1/20 0.36
ACVR1 Q04771 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
TNIK Q9UKE5 2/20 0.35
SYK P43405 1/20 0.35
PKM P14618 1/20 0.35
F10 P00742 1/20 0.35
IDH1 O75874 1/20 0.35
GAA P10253 1/20 0.34
CYP11B1 P15538 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL22553752 1.00 IP6K1 (0.39) IP6K1IP6K3IP6K2NPC1PIP4K2A
SCHEMBL22553764 0.79 KIT (0.45) TNIK
SCHEMBL22578342 0.79 SYK (0.39) NPC1PIP4K2ACYP11B2CD38CCNC
SCHEMBL22553851 0.79 ROCK2 (0.41) NPC1CD38TNIKSYKPKM
SCHEMBL30730813 0.79 ROCK2 (0.41) NPC1CD38TNIKSYKPKM
SCHEMBL30730789 0.76 SMN1; SMN2 (0.39) IP6K1IP6K3IP6K2NPC1PIP4K2A
SCHEMBL22553910 0.76 SMN1; SMN2 (0.39) IP6K1IP6K3IP6K2NPC1PIP4K2A
SCHEMBL22578335 0.76 IP6K1 (0.43) IP6K1IP6K3IP6K2NPC1CYP11B2
SCHEMBL22553843 0.75 CD38 (0.39) IP6K1IP6K3IP6K2NPC1CYP11B2
SCHEMBL22553788 0.75 CD38 (0.39) IP6K1IP6K3IP6K2NPC1CYP11B2

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 IP6K1 22/4885IP6K3 28/4885IP6K2 17/4885

“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.