SCHEMBL2178248

SCHEMBL2178248

Cc1nc2ccc(F)cc2nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 2/20 0.47
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CASP3 P42574 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PDE2A O00408 5/20 0.40
PDE10A Q9Y233 5/20 0.40
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
PDE7A Q13946 1/20 0.37
MPO P05164 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL428426 1.00 KDM4E (0.48) KDM4EKMT2AMAPTMEN1USP2
SCHEMBL12638658 0.86 KDM4E (0.57) KDM4EKMT2AMAPTMEN1USP2
SCHEMBL31399981 0.86 KDM4E (0.57) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL118875 0.86 KDM4E (0.57) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL14764615 0.80 NQO2 (0.57) KDM4EKMT2AMAPTMEN1USP2
SCHEMBL6311061 0.80 KMT2A (0.62) KDM4EKMT2AMAPTMEN1USP2
SCHEMBL6303670 0.80 KMT2A (0.62) KDM4EKMT2AMAPTMEN1USP2
SCHEMBL14764426 0.80 NQO2 (0.57) KDM4EKMT2AMAPTMEN1USP2
SCHEMBL5023733 0.79 ALDH1A1 (0.35) KDM4EKMT2AMAPTMEN1USP2
SCHEMBL18511352 0.78 KDM4E (0.50) KDM4EKMT2AMAPTMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2670754-B1 (1,2,4)TRIAZOLO[4,3-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BOEHRINGER INGELHEIM INT (DE) 2017-05-24 EP disclosed
US-9540379-B2 (1,2,4)triazolo[4,3-A]quinoxaline derivatives as inhibitors of phosphodiesterases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-10 US disclosed
US-9493506-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-11-15 US disclosed
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES 2014-09-25 US disclosed
WO-2014139983-A1 [1,2,4]TRIAZOLO[4,3-A]QUINOXALINES AS DUAL PDE2/PDE10 INHIBITORS H. LUNDBECK A/S (DK) 2014-09-18 WO disclosed
US-8748374-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2014-06-10 US disclosed
EP-2670754-A1 (1,2,4)TRIAZOLO[4,3-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES Boehringer Ingelheim International GmbH (DE) 2013-12-11 EP disclosed
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
WO-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 WO disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 WO disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 WO disclosed
US-7053104-B2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
EP-1595871-A2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2005-11-16 EP disclosed
EP-1196397-B1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMA INC (US) 2005-08-17 EP disclosed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US disclosed
US-6429207-B1 QUINOXALINE DERIVATIVES EXHIBITING A HIGH DEGREE OF POTENCY AND SELECTIVITY FOR INDIVIDUAL METABOTROPIC GLUTAMATE RECEPTORS (MGLUR) NPS PHARMACEUTICALS, INC. 2002-08-06 US disclosed
EP-1196397-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2002-04-17 EP disclosed
WO-2000073283-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-12-07 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-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 KDM4E 3864/4885KMT2A 2004/4885MAPT 471/4885
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B KDM4E 397/4885KMT2A 2102/4885MAPT 4095/4885
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 KDM4E 2948/4885KMT2A 4134/4885MAPT 3207/4885

“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.