SCHEMBL369136

SCHEMBL369136

NC1Cc2cccnc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.41
DRD2 P14416 4/20 0.41
DRD3 P35462 4/20 0.41
FYN P06241 1/20 0.35
CYP2D6 P10635 3/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP4B1 P13584 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP3A5 P20815 1/20 0.35
CYP2A7 P20853 1/20 0.35
CYP3A7 P24462 1/20 0.35
CYP2F1 P24903 1/20 0.35
CYP2C18 P33260 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
Hydrochloric Acid SCHEMBL27034209 0.98 DRD2 (0.40) PLAUDRD2DRD3FYNCYP2D6
SCHEMBL3310824 0.82 PLAU (0.55) PLAUDRD2DRD3
SCHEMBL29668981 0.82 PLAU (0.55) PLAUDRD2DRD3
SCHEMBL30279709 0.82 PLAU (0.55) PLAUDRD2DRD3
SCHEMBL1266027 0.82 PLAU (0.55) PLAUDRD2DRD3
SCHEMBL5051400 0.82 PLAU (0.55) PLAUDRD2DRD3
SCHEMBL2463278 0.80 CYP2D6 (0.44) PLAUDRD2DRD3CYP2D6CYP1A1
SCHEMBL14819903 0.79 DRD2 (0.41) DRD2DRD3CYP2D6ADRA1A
SCHEMBL24399967 0.75 DRD2 (0.41) DRD2DRD3CYP2D6ADRA1A
SCHEMBL6398803 0.75 DRD2 (0.41) DRD2DRD3CYP2D6CYP1A2ADRA1A

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-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO disclosed
EP-1534277-B1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-14 EP disclosed
US-7745462-B2 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2010-06-29 US disclosed
US-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2007-03-22 US disclosed
US-7105513-B2 Cardiovascular disorders; strokes; hypotensive agents SANOFI-AVERTIS DEUTSCHLAND GMBH (DE) 2006-09-12 US disclosed
EP-1613315-A1 QUINOLINE-2-ONE-DERIVATIVES FOR THE TREATMENT OF AIRWAYS DISEASES Novartis AG (CH) 2006-01-11 EP disclosed
EP-1534277-A1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2005-06-01 EP disclosed
WO-2004087142-A1 QUINOLINE-2-ONE-DERIVATIVES FOR THE TREATMENT OF AIRWAYS DISEASES NOVARTIS AG (CH) 2004-10-14 WO disclosed
US-20040092513-A1 Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-13 US disclosed
WO-2004014372-A1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-19 WO disclosed
EP-1388342-A1 Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals Aventis Pharma Deutschland GmbH (DE) 2004-02-11 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-20040092513-A1 Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals LIPG, AADAC, AANAT PLAU 3214/4885DRD2 2316/4885DRD3 2824/4885
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A PLAU 4041/4885DRD2 4858/4885DRD3 4872/4885
US-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases ADRB2, ADRA2C, ADRB1 PLAU 4094/4885DRD2 634/4885DRD3 1155/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A PLAU 4041/4885DRD2 4858/4885DRD3 4872/4885

“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.