SCHEMBL3581111

SCHEMBL3581111

Cn1c(=O)n(CC(=O)O)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.76
LMNA P02545 1/20 0.68
HTT P42858 1/20 0.66
POLB P06746 1/20 0.61
THRB P10828 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TSHR P16473 2/20 0.58
CYP1A2 P05177 1/20 0.56
KDM4E B2RXH2 1/20 0.55
GLA P06280 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
AGER Q15109 1/20 0.53
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL11808900 0.87 APEX1 (1.00) APEX1HTTPOLBL3MBTL1KDM4E
SCHEMBL24405821 0.85 RAB9A (0.68) APEX1LMNAPOLBTHRBL3MBTL1
SCHEMBL1520129 0.84 APEX1 (0.62) APEX1LMNAHTTL3MBTL1CYP1A2
SCHEMBL22080089 0.84 HTT (0.64) APEX1LMNAHTTKDM4EGLA
SCHEMBL7136977 0.83 ALDH1A1 (0.60) APEX1LMNAHTTTSHRKDM4E
SCHEMBL5329443 0.82 APEX1 (0.82) APEX1LMNAHTTPOLBKDM4E
SCHEMBL13381832 0.81 HTT (0.97) APEX1HTTPOLBKDM4EMEN1
SCHEMBL24405617 0.80 LMNA (0.57) APEX1LMNAHTTPOLBTHRB
SCHEMBL11262946 0.79 APEX1 (0.77) APEX1LMNAHTTPOLBTSHR
SCHEMBL13178918 0.79 LMNA (0.55) APEX1LMNAHTTTHRBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122741-B1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-06-06 EP disclosed
US-9951063-B2 8-(piperazin-1-yl)-1,2,3,4-tetrahydro-isoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-24 US disclosed
US-9688662-B2 N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-quinazolinamine and N-(2,3-dihydro-1H-indol-5-yl)-4-quinazolinamine derivatives as perk inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 US disclosed
US-9688662-B2 N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-quinazolinamine and N-(2,3-dihydro-1H-indol-5-yl)-4-quinazolinamine derivatives as perk inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 US disclosed
EP-2989091-B1 NOVEL N-(2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-4- QUINAZOLINAMINE AND N-(2,3-DIHYDRO-1H-INDOL-5-YL)-4- QUINAZOLINAMINE DERIVATIVES AS PERK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-05-10 EP disclosed
US-20170107214-A1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-20 US disclosed
EP-2809668-B1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-12 EP disclosed
EP-3122741-A1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2017-02-01 EP disclosed
US-9266876-B2 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-23 US disclosed
WO-2015145322-A1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-10-01 WO disclosed
US-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2014-12-18 US disclosed
EP-2809668-A1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2014-12-10 EP disclosed
WO-2014161808-A1 NOVEL N-(2,3-DIHYDRO-1H-PYRROLO[2,3-B]JPYRIDIN-5-YL)-4- QUINAZOLINAMINE AND N-(2,3-DIHYDRO-1H-INDOL-5-YL)-4- QUINAZOLINAMINE DERIVATIVES AS PERK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-09 WO disclosed
WO-2013114332-A1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-08 WO disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US 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 (4 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-20170107214-A1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES CXCR3, CXCR1, CXCR2 APEX1 1028/4885LMNA 4649/4885HTT 4707/4885
US-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives CXCR3, CXCR1, CXCR2 APEX1 2085/4885LMNA 4684/4885HTT 4491/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 APEX1 2109/4885LMNA 3704/4885HTT 4781/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 APEX1 1758/4885LMNA 4877/4885HTT 3557/4885

“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.