SCHEMBL469693

SCHEMBL469693

c1ccc2c(-c3c[nH]nn3)c[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
HTT P42858 2/20 0.57
MAPT P10636 10/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 4/20 0.51
HSD17B10 Q99714 2/20 0.51
THRB P10828 2/20 0.51
ALOX15 P16050 1/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
IMPDH2 P12268 1/20 0.50
MAPK1 P28482 1/20 0.50
CLK1 P49759 1/20 0.50
GSK3B P49841 1/20 0.50
CDK5 Q00535 1/20 0.50
DYRK1A Q13627 1/20 0.50
CDK5R1 Q15078 1/20 0.50

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
SCHEMBL2197897 0.76 ALDH1A1 (0.38) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL1202543 0.76 IMPDH2 (0.63) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL20017671 0.76 CLK1 (0.58) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL25034150 0.76 TUBB4A (0.68) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL28661822 0.75 MEN1 (0.53) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL28399449 0.75 MEN1 (0.65) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL8508567 0.75 BCHE (0.49) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3722012 0.75 CDK9 (0.56) GSK3BCDK5DYRK1ACDK5R1PRKD3
SCHEMBL367742 0.73 NISCH (0.41) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL253097 0.73 MEN1 (0.50) MEN1KMT2AHTTMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102093357-A Novel indoletriazole alkaloid as well as preparation method and antifungal application thereof INST BOTANY JIANGSU PROVINCE & CAS 2011-06-15 CN claimed
CN-108558871-A Novel tricyclic compound as anticancer agent 百时美施贵宝公司 2018-09-21 CN disclosed
CN-106029663-B Tricyclic compounds as anticancer agents 百时美施贵宝公司 2018-06-01 CN disclosed
US-9815863-B2 Hydrogen bond forming fluoro ketolides for treating diseases CEMPRA PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
US-9815863-B2 Hydrogen bond forming fluoro ketolides for treating diseases CEMPRA PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
CN-106029663-A Tricyclic compounds as anticancer agents 百时美施贵宝公司 2016-10-12 CN disclosed
US-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2013-07-04 US disclosed
WO-2012034058-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2012-03-15 WO disclosed
CN-102093357-A Novel indoletriazole alkaloid as well as preparation method and antifungal application thereof INST BOTANY JIANGSU PROVINCE & CAS 2011-06-15 CN disclosed
EP-1749000-A2 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2007-02-07 EP disclosed
US-20060014785-A1 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2006-01-19 US disclosed
WO-2005115384-A2 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2005-12-08 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 (2 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-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Q6ZSR9, LSS, LCT MEN1 2458/4885KMT2A 1071/4885HTT 1505/4885
US-20060014785-A1 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION PPARG, PPARD, GPR119 MEN1 4753/4885KMT2A 2726/4885HTT 1085/4885

“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.