SCHEMBL30730862

SCHEMBL30730862

O=C(Nc1ccncc1)c1cc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)ccnc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
HPGDS O60760 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
PKM P14618 1/20 0.44
NUDT1 P36639 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
DGAT2 Q96PD7 1/20 0.41
TBK1 Q9UHD2 2/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL22553904 1.00 NPC1 (0.49) NPC1HPGDSSMN1; SMN2RAB9AALDH1A1
SCHEMBL30730854 0.94 NPC1 (0.48) NPC1HPGDSSMN1; SMN2RAB9AALDH1A1
SCHEMBL22553987 0.94 NPC1 (0.48) NPC1HPGDSSMN1; SMN2RAB9AALDH1A1
SCHEMBL30730800 0.92 NUDT1 (0.48) NPC1HPGDSSMN1; SMN2RAB9AALDH1A1
SCHEMBL22554272 0.92 NUDT1 (0.48) NPC1HPGDSSMN1; SMN2RAB9AALDH1A1
SCHEMBL22554135 0.89 NUDT1 (0.57) NPC1HPGDSSMN1; SMN2RAB9AALDH1A1
SCHEMBL22553975 0.88 TBK1 (0.44) NPC1HPGDSSMN1; SMN2RAB9AALDH1A1
SCHEMBL30730801 0.88 TBK1 (0.44) NPC1HPGDSSMN1; SMN2RAB9AALDH1A1
SCHEMBL22553815 0.88 HPGDS (0.45) NPC1HPGDSSMN1; SMN2RAB9AALDH1A1
SCHEMBL22554047 0.88 DGAT2 (0.44) NPC1SMN1; SMN2ALDH1A1NUDT1MEN1

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 NPC1 1648/4885HPGDS 4023/4885SMN1; SMN2 3679/4885

“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.