SCHEMBL2901465

SCHEMBL2901465

COCc1cccc(CN)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.54
NOS1 P29475 3/20 0.52
NOS2 P35228 3/20 0.52
ALDH1A1 P00352 2/20 0.52
NOS3 P29474 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52
MAOB P27338 5/20 0.51
LOXL2 Q9Y4K0 2/20 0.50
MRGPRX4 Q96LA9 1/20 0.49
PNMT P11086 1/20 0.48
IDO1 P14902 3/20 0.46
AGXT P21549 2/20 0.46
PRMT6 Q96LA8 1/20 0.44

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
SCHEMBL487468 0.89 IDO1 (0.48) CYP3A4MAOBIDO1AGXT
SCHEMBL29575625 0.83 LOXL2 (0.67) ENPP2NOS1NOS2ALDH1A1NOS3
SCHEMBL1046364 0.83 TAAR1 (0.61) NOS1SMN1; SMN2MAOBLOXL2
SCHEMBL2909903 0.83 ENPP2 (0.46) ENPP2NOS1NOS2ALDH1A1NOS3
SCHEMBL429943 0.81 MAOB (0.55) MAOBLOXL2IDO1AGXT
SCHEMBL10422276 0.81 LOXL2 (0.71) ENPP2NOS1NOS2ALDH1A1NOS3
SCHEMBL36008 0.81 LOXL2 (0.71) ENPP2NOS1NOS2ALDH1A1NOS3
SCHEMBL14669935 0.80 TAAR1 (0.49) MAOB
SCHEMBL12305 0.80 TP53 (0.44) ALDH1A1MAOBIDO1AGXT
SCHEMBL1520948 0.80 IDO1 (0.61) ENPP2CYP3A4MRGPRX4IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996002492-A1 METHOD OF MAKING A BENZYLPROPANAMINE NSP PHARMACEUTICALS, INC. (US) 1996-02-01 WO claimed
WO-2022087624-A1 COMPOUNDS AS RAS INHIBITORS AND USES THEREOF BIOARDIS LLC (US) 2022-04-28 WO disclosed
EP-3177611-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2021-10-06 EP disclosed
US-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-23 US disclosed
US-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-23 US disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
EP-1871739-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2008-01-02 EP disclosed
US-7262316-B2 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-28 US disclosed
US-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use ZAPAQ, INC. (US) 2007-05-24 US disclosed
WO-2006110668-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2006-10-19 WO disclosed
US-20060069282-A1 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-03-30 US disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 WO disclosed
EP-1555257-A1 PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-07-20 EP disclosed
CN-1184423-A Nodulisporic acid derivatives MERCK & CO INC (US) 1998-06-10 CN disclosed
WO-1996002492-A1 METHOD OF MAKING A BENZYLPROPANAMINE NSP PHARMACEUTICALS, INC. (US) 1996-02-01 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 (5 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-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases RORA, RORC, RORB ENPP2 607/4885NOS1 3335/4885NOS2 3035/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 ENPP2 2098/4885NOS1 719/4885NOS2 606/4885
US-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use BACE1, BACE2, APP ENPP2 284/4885NOS1 4384/4885NOS2 4663/4885
US-20060069282-A1 Process for producing aromatic nitrile compound ODC1, ALKBH3, GNMT ENPP2 4589/4885NOS1 14/4885NOS2 8/4885
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC ENPP2 435/4885NOS1 3236/4885NOS2 2512/4885

“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.