SCHEMBL9912488

SCHEMBL9912488

Cn1nc(Cc2ccccc2)c(C#N)c1N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
LTB4R Q15722 2/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.42
AS3MT Q9HBK9 1/20 0.40
AADAT Q8N5Z0 1/20 0.39
LRRK2 Q5S007 1/20 0.39
MAPT P10636 3/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ENPP1 P22413 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
FPR1 P21462 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6196159 0.83 TSHR (0.52) GAATSHRLTB4RLMNAALDH1A1
SCHEMBL7313785 0.81 GAA (0.47) GAATSHRLTB4RLMNAALDH1A1
SCHEMBL20551619 0.80 GAA (0.43) GAATSHRLMNAALDH1A1MAPT
SCHEMBL17173944 0.80 TSHR (0.46) GAATSHRLMNAALDH1A1MAPT
SCHEMBL11544700 0.75 LRRK2 (0.50) GAATSHRLMNAALDH1A1LRRK2
SCHEMBL7311064 0.75 HPGD (0.43) GAATSHRLMNAALDH1A1MAPT
SCHEMBL31194569 0.75 GAA (0.55) GAATSHRLMNAALDH1A1LRRK2
SCHEMBL2073225 0.74 MAPT (0.55) GAATSHRLMNAALDH1A1LRRK2
SCHEMBL8694634 0.74 GAA (0.40) GAATSHRLMNAALDH1A1LRRK2
SCHEMBL17173942 0.73 LMNA (0.56) LMNAALDH1A1MAPTKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US disclosed
CN-110914263-A Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors 格兰马克药品股份有限公司 2020-03-24 CN disclosed
EP-3619209-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2020-03-11 EP disclosed
WO-2018203298-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-08 WO disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
EP-2646443-B1 KAT II INHIBITORS PFIZER (US) 2014-09-24 EP disclosed
EP-2646443-B1 KAT II INHIBITORS PFIZER (US) 2014-09-24 EP disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-8598200-B2 KAT II inhibitors PFIZER INC. (US) 2013-12-03 US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 US disclosed
WO-2012073143-A1 KAT II INHIBITORS PFIZER INC. (US) 2012-06-07 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 (3 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 GAA 335/4885TSHR 3792/4885LTB4R 203/4885
US-20140057938-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 GAA 750/4885TSHR 1205/4885LTB4R 2846/4885
US-20120302599-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 GAA 750/4885TSHR 1205/4885LTB4R 2846/4885

“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.