SCHEMBL4289654

SCHEMBL4289654

O=C(Nc1ccccn1)c1[c]cccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.60
RAB9A P51151 9/20 0.60
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
CYP1A2 P05177 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
KDM4E B2RXH2 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 2/20 0.53
GRM5 P41594 2/20 0.51
ALOX15 P16050 1/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
TP53 P04637 2/20 0.49
MITF O75030 1/20 0.49
F2 P00734 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL28567406 0.81 NPC1 (0.53) NPC1RAB9APKMSMN1; SMN2CYP1A2
SCHEMBL4782545 0.76 L3MBTL1 (0.59) NPC1RAB9ASMN1; SMN2CYP1A2KMT2A
SCHEMBL9384187 0.75 NPC1 (0.72) NPC1RAB9APKMSMN1; SMN2CYP1A2
SCHEMBL28720941 0.75 RAB9A (0.77) NPC1RAB9APKMSMN1; SMN2CYP1A2
SCHEMBL5558079 0.75 NPC1 (0.60) NPC1RAB9APKMSMN1; SMN2CYP1A2
SCHEMBL4725839 0.75 CCNA2 (0.63) NPC1RAB9ASMN1; SMN2CYP1A2KDM4E
SCHEMBL29366822 0.74 RAB9A (0.89) NPC1RAB9APKMSMN1; SMN2CYP1A2
SCHEMBL997866 0.74 RAB9A (0.89) NPC1RAB9APKMSMN1; SMN2CYP1A2
SCHEMBL483177 0.74 RAB9A (0.49) RAB9ASMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL3759858 0.74 NR3C1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-11-19 US claimed
EP-2081933-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS Novartis Ag (CH) 2009-07-29 EP claimed
WO-2008037477-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-03 WO claimed
WO-2022143856-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-07-07 WO disclosed
WO-2020228637-A1 SUBSTITUTED 1-AMINO-1H-IMIDAZOLE-5-CARBOXAMIDE AS BRUTON'S TYROSINE KINASE INHIBITORS HENAN NORMAL UNIVERSITY (CN) 2020-11-19 WO disclosed
WO-2016192074-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed
US-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-11-19 US disclosed
EP-2081933-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS Novartis Ag (CH) 2009-07-29 EP disclosed
WO-2008037477-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-03 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-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS ATR, ATM, CHEK1 NPC1 1299/4885RAB9A 2181/4885PKM 249/4885

“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.