Sugi Predict

Sugi Predict / Compounds / SCHEMBL970053

SCHEMBL970053

SCHEMBL970053

c1ccc2c(c1)ncc1cncn12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ GLA P06280 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ LCK P06239 15/20 0.45
▸ TDP1 Q9NUW8 2/20 0.41
▸ HTT P42858 1/20 0.40
▸ GMNN O75496 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL29742732 1.00 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL31307208 0.79 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL6375117 0.75 GABRA5 (0.41) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL29673192 0.74 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL1078583 0.74 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL10681757 0.74 GABRA5 (0.36) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL1016624 0.74 GABRA5 (0.36) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL30661682 0.73 FGFR1 (0.41) KDM4EALDH1A1HPGDHSD17B10LCK
SCHEMBL31613927 0.71 FGFR1 (0.50) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL29505892 0.71 CYP11B2 (0.47) KDM4EALDH1A1HPGDHSD17B10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5668282-A 4,5-cyclicimidazo[1,5-A]quinoxalines PHARMACIA & UPJOHN COMPANY (US) 1997-09-16 — — US claimed
US-5574038-A 5,6-cyclicimidazo [1,5-a] Quinoxalines THE UPJOHN COMPANY (US) 1996-11-12 — — US claimed
US-5541324-A Imidazo[1,5-A]quinoxalines THE UPJOHN COMPANY (US) 1996-07-30 — — US claimed
EP-0590022-A1 IMIDAZO 1,5-a]QUINOXALINES PHARMACIA & UPJOHN COMPANY (US) 1994-04-06 — — EP claimed
WO-1993012113-A1 3-SUBSTITUTED IMIDAZO (1,5-a) AND IMIDAZO (1,5-a)-TRIAZOLO (1,5-c) QUINOXALINES AND QUINAZOLINES WITH CNS ACTIVITY THE UPJOHN COMPANY (US) 1993-06-24 — — WO claimed
WO-1992022552-A1 IMIDAZO[1,5-a]QUINOXALINES THE UPJOHN COMPANY (US) 1992-12-23 — — WO claimed
WO-2022170396-A1 AGENTS AND METHODS FOR THERAPY AND PROPHYLAXIS ViraLok Therapeutics Pty Ltd (AU) 2022-08-18 — — WO disclosed
EP-3042903-B1 Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof IMPETIS BIOSCIENCES LTD (IN) 2019-08-14 — — EP disclosed
US-9944991-B2 Compositions and methods for diagnosis, prognosis and treatment of hematological malignancies DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-17 — — US disclosed
US-9902710-B2 Substituted 6, 7-dialkoxy-3-isoquinoline derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) EXONHIT THERAPEUTICS, SA (FR) 2018-02-27 — — 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
EP-2838898-B1 SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD (IN) 2017-01-18 — — EP disclosed
US-20160264549-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) EXONHIT THERAPEUTICS, SA (FR) 2016-09-15 — — US disclosed
EP-0590022-A1 IMIDAZO 1,5-a]QUINOXALINES PHARMACIA & UPJOHN COMPANY (US) 1994-04-06 — — EP disclosed
WO-1993017025-A1 3-SUBSTITUTED IMIDAZO(1,5-A)QUINOXALINES AND QUINAZOLINES WITH CNS ACTIVITY THE UPJOHN COMPANY (US) 1993-09-02 — — WO disclosed
WO-1993016082-A1 4-OXO- AND 4H-IMIDAZO(5,1-C)(1,4)BENZOXAZINES USEFUL AS BENZODIAZEPINE RECEPTOR-BINDING AGENTS THE UPJOHN COMPANY (US) 1993-08-19 — — WO disclosed
WO-1993012113-A1 3-SUBSTITUTED IMIDAZO (1,5-a) AND IMIDAZO (1,5-a)-TRIAZOLO (1,5-c) QUINOXALINES AND QUINAZOLINES WITH CNS ACTIVITY THE UPJOHN COMPANY (US) 1993-06-24 — — WO disclosed
WO-1993012113-A1 3-SUBSTITUTED IMIDAZO (1,5-a) AND IMIDAZO (1,5-a)-TRIAZOLO (1,5-c) QUINOXALINES AND QUINAZOLINES WITH CNS ACTIVITY THE UPJOHN COMPANY (US) 1993-06-24 — — WO disclosed
WO-1992022552-A1 IMIDAZO[1,5-a]QUINOXALINES THE UPJOHN COMPANY (US) 1992-12-23 — — WO disclosed
WO-1992022552-A1 IMIDAZO[1,5-a]QUINOXALINES THE UPJOHN COMPANY (US) 1992-12-23 — — 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 (1 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-20160264549-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) PDE9A, PDE10A, PDE6A KDM4E 1707/4885ALDH1A1 186/4885HPGD 1716/4885

“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.