SCHEMBL554745

SCHEMBL554745

Cc1ccc2cc(CCl)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.57
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
CASP6 P55212 1/20 0.53
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
PDE10A Q9Y233 9/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HCAR2 Q8TDS4 1/20 0.41
KDM1A O60341 1/20 0.40
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL30647549 1.00 CYP1A2 (0.57) CYP1A2KDM4ELMNAPOLBCASP6
Hydrochloric Acid SCHEMBL11971220 0.98 CYP1A2 (0.55) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL27945089 0.85 CYP1A2 (0.53) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL21618429 0.84 CYP1A2 (0.61) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL10234988 0.82 CYP1A2 (0.59) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL31428884 0.81 CYP1A2 (0.57) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL1206321 0.81 CYP1A2 (0.57) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL29518266 0.81 CYP1A2 (0.57) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL554539 0.81 CYP1A2 (0.57) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL15287165 0.81 KDM4E (0.58) CYP1A2KDM4ELMNAPOLBCASP6

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059186-A1 N-((ISOQUINOLIN-6-YL)METHYL)-1H-PYRAZOLE-4-CARBOXAMID DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS FOR THE TREATMENT OF HEREDITARY ANGIOEDEMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-21 WO disclosed
US-9670181-B2 Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) ALLERGAN, INC. (US) 2017-06-06 US disclosed
US-9670181-B2 Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) ALLERGAN, INC. (US) 2017-06-06 US disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
EP-2675791-B1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) ALLERGAN INC (US) 2016-02-17 EP disclosed
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 EP disclosed
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 EP disclosed
US-20140309253-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) ALLERGAN, INC. 2014-10-16 US disclosed
US-8772316-B2 Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (PDE10A) ALLERGAN, INC. (US) 2014-07-08 US disclosed
US-8772316-B2 Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (PDE10A) ALLERGAN, INC. (US) 2014-07-08 US disclosed
EP-2601189-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN Novartis AG (CH) 2013-06-12 EP disclosed
US-20120214837-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) EXONHIT THERAPEUTICS SA (FR) 2012-08-23 US disclosed
US-20120214837-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) EXONHIT THERAPEUTICS SA (FR) 2012-08-23 US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
WO-2012017020-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2012-02-09 WO disclosed
WO-2012017020-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2012-02-09 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-20140309253-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) PDE10A, PDE6A, PDE9A CYP1A2 161/4885KDM4E 1663/4885LMNA 3698/4885
US-20120214837-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) PDE10A, PDE6A, PDE9A CYP1A2 284/4885KDM4E 1675/4885LMNA 3757/4885
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES TPMT, REN, PNMT CYP1A2 117/4885KDM4E 927/4885LMNA 1188/4885

“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.