SCHEMBL7478574

SCHEMBL7478574

O=Cc1nc(-c2ccccc2)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.39
KDM4E B2RXH2 8/20 0.39
MAPT P10636 6/20 0.37
PKM P14618 2/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A2 O94788 2/20 0.35
ALDH1A3 P47895 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
RAB9A P51151 6/20 0.35
NPC1 O15118 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 4/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.35
MAP2K1 Q02750 1/20 0.34

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
SCHEMBL5326782 0.79 BRD4 (0.32) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL3849472 0.79 CYP11B1 (0.31) BRD4
SCHEMBL22075816 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTPKMKMT2A
SCHEMBL7473668 0.76 KDM4E (0.33) ALDH1A1KDM4EMAPTPKMKMT2A
SCHEMBL6197960 0.76 KDM4E (0.45) ALDH1A1KDM4EMAPTPKMKMT2A
SCHEMBL259283 0.73 PDE10A (0.48) ALDH1A1KDM4EMAPTPKMKMT2A
SCHEMBL20123855 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTPKMKMT2A
SCHEMBL26224317 0.73 CYP11B1 (0.33) ALDH1A1KMT2AADORA2AADORA1SMN1; SMN2
SCHEMBL3855549 0.72 PDE10A (0.39) ALDH1A1KDM4EMAPTPKMKMT2A
SCHEMBL8489742 0.72 P2RX7 (0.36) ALDH1A1KDM4EMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
EP-2576540-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-09-04 EP disclosed
EP-3318561-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2018-05-09 EP disclosed
US-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS SUNOVION PHARMACEUTICALS INC. 2018-02-08 US disclosed
US-9834564-B2 Substituted quinolines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2017-12-05 US disclosed
CN-103038229-B Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-05-11 CN disclosed
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-06-18 US disclosed
US-8969349-B2 Substituted quinoxalines and quinoxalinones as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2015-03-03 US disclosed
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2013-06-20 US disclosed
EP-2576540-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2013-04-10 EP disclosed
CN-103038229-A Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC 2013-04-10 CN disclosed
WO-2011150156-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-12-01 WO disclosed
EP-0967207-B1 Nitrone derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-09-11 EP disclosed
EP-0967207-A1 Nitrone derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-12-29 EP 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-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS PDE10A, PDE2A, PDE3A ALDH1A1 559/4885KDM4E 202/4885MAPT 2222/4885
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN ALDH1A1 560/4885KDM4E 969/4885MAPT 778/4885
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors PDE4A, PDE2A, PDE9A ALDH1A1 1140/4885KDM4E 1397/4885MAPT 2899/4885
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof COMT, GPR119, NLN ALDH1A1 560/4885KDM4E 969/4885MAPT 778/4885

“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.