SCHEMBL3972207

SCHEMBL3972207

CN(C)Cc1nc2ccc(N)cc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.51
RAB9A P51151 9/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
USP2 O75604 1/20 0.51
MAPK10 P53779 1/20 0.51
MAPT P10636 9/20 0.49
KDM4E B2RXH2 6/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
KMT2A Q03164 3/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
GRK6 P43250 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL14100099 0.87 GRK6 (0.59) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL16183330 0.81 NPC1 (0.55) NPC1RAB9ASMN1; SMN2USP2MAPK10
SCHEMBL29236840 0.80 NPC1 (0.59) NPC1RAB9ASMN1; SMN2USP2MAPK10
SCHEMBL14619107 0.79 MAPT (0.56) NPC1RAB9ASMN1; SMN2USP2MAPK10
SCHEMBL29802262 0.79 MAPT (0.56) NPC1RAB9ASMN1; SMN2USP2MAPK10
SCHEMBL21814974 0.76 MEN1 (0.56) NPC1RAB9ASMN1; SMN2USP2MAPK10
SCHEMBL10895474 0.75 MAPT (0.46) NPC1RAB9ASMN1; SMN2USP2MAPK10
SCHEMBL11792767 0.75 MAPT (0.51) NPC1RAB9ASMN1; SMN2USP2MAPK10
SCHEMBL28418008 0.75 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL15651770 0.75 NPC1 (0.53) NPC1RAB9ASMN1; SMN2USP2MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110872296-B dihydro-isoindole-1H-pyrazolo [3,4-d ] pyrimidinone compound, and preparation method and application thereof 上海弘翊生物科技有限公司 2023-05-23 CN disclosed
CN-110872296-A isoindoline-1H-pyrazolo [3,4-d ] pyrimidone compound, and preparation method and application thereof 上海弘翊生物科技有限公司 2020-03-10 CN disclosed
EP-1907385-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
EP-1907385-A2 COMPOUNDS SmithKline Beecham Corporation (US) 2008-04-09 EP disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB NPC1 888/4885RAB9A 4140/4885SMN1; SMN2 4119/4885

“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.