SCHEMBL30730800

SCHEMBL30730800

O=C(Nc1cccnc1)c1cc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)ccnc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.48
NPC1 O15118 3/20 0.45
GAA P10253 1/20 0.44
HPGDS O60760 1/20 0.43
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PTPN11 Q06124 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
WNT1 P04628 3/20 0.41
DYRK1A Q13627 3/20 0.41
MAPKAPK2 P49137 1/20 0.41
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL22554272 1.00 NUDT1 (0.48) NUDT1NPC1GAAHPGDSRAB9A
SCHEMBL30730854 0.94 NPC1 (0.48) NUDT1NPC1GAAHPGDSRAB9A
SCHEMBL22553987 0.94 NPC1 (0.48) NUDT1NPC1GAAHPGDSRAB9A
SCHEMBL22553904 0.92 NPC1 (0.49) NUDT1NPC1HPGDSRAB9ASMN1; SMN2
SCHEMBL30730862 0.92 NPC1 (0.49) NUDT1NPC1HPGDSRAB9ASMN1; SMN2
SCHEMBL22553815 0.88 HPGDS (0.45) NUDT1NPC1HPGDSRAB9ASMN1; SMN2
SCHEMBL30730793 0.88 HPGDS (0.45) NUDT1NPC1HPGDSRAB9ASMN1; SMN2
SCHEMBL22554135 0.88 NUDT1 (0.57) NUDT1NPC1HPGDSRAB9ASMN1; SMN2
SCHEMBL22554104 0.87 NUDT1 (0.47) NUDT1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL30730856 0.87 NUDT1 (0.47) NUDT1SMN1; SMN2MEN1KMT2AKDM4E

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 NUDT1 2148/4885NPC1 1648/4885GAA 1936/4885

“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.