SCHEMBL1710995

SCHEMBL1710995

O=c1[nH]cccc1-c1ncccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
GBA1 P04062 1/20 0.45
AURKA O14965 2/20 0.43
DAO P14920 1/20 0.43
AURKB Q96GD4 1/20 0.43
INCENP Q9NQS7 1/20 0.43
RAB9A P51151 2/20 0.41
ATM Q13315 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
MCL1 Q07820 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
GAA P10253 2/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
ABL1 P00519 1/20 0.39
PLCG1 P19174 1/20 0.39
CES1 P23141 1/20 0.39
PAX8 Q06710 1/20 0.39
RIN1 Q13671 1/20 0.39
MEN1 O00255 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
SCHEMBL2101505 0.79 AURKA (0.56) NPC1GBA1AURKADAOAURKB
SCHEMBL2096438 0.79 PRKCI (0.47) NPC1GBA1RAB9AGAABLM
SCHEMBL5891633 0.77 DAO (0.47) NPC1GBA1AURKADAOAURKB
SCHEMBL9117502 0.76 NPC1 (0.54) NPC1GBA1AURKADAOAURKB
SCHEMBL9471630 0.75 NPC1 (0.49) NPC1GBA1AURKADAOAURKB
SCHEMBL8801090 0.73 PRKCI (0.46) NPC1GBA1AURKADAOAURKB
SCHEMBL2100160 0.73 MAPT (0.58) NPC1GBA1AURKADAOAURKB
SCHEMBL7377865 0.73 ACVR1 (0.55) NPC1GBA1AURKAAURKBINCENP
SCHEMBL24922603 0.73 NPC1 (0.44) NPC1GBA1AURKADAOAURKB
Hydrochloric Acid SCHEMBL30730902 0.72 MAPT (0.56) NPC1GBA1AURKADAOAURKB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265336-A1 COMPOSITION WITH FOAMING PROPERTIES PETROLIAM NASIONAL BERHAD (PETRONAS) (MY) 2023-08-24 US disclosed
US-20220324862-A1 PYRIDOPYRIMIDINONE COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED 2022-10-13 US disclosed
WO-2022212531-A1 PYRIDOPYRIMIDINONE COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2022-10-06 WO disclosed
WO-2022212546-A1 PYRIDOPYRIMIDINONE COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2022-10-06 WO disclosed
EP-2344502-A2 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK F. Hoffmann-La Roche AG (CH) 2011-07-20 EP disclosed
WO-2010046273-A3 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
WO-2010046273-A2 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2010-04-29 WO 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-20220324862-A1 PYRIDOPYRIMIDINONE COMPOUNDS RSU1, SOST, CCNA1 NPC1 3128/4885GBA1 2858/4885AURKA 734/4885

“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.