SCHEMBL316035

SCHEMBL316035

Cc1nn(-c2ccccc2)nc1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.75
PKM P14618 2/20 0.75
LMNA P02545 1/20 0.75
ADORA3 P0DMS8 1/20 0.75
ADORA2A P29274 1/20 0.75
ADORA2B P29275 1/20 0.75
ADORA1 P30542 1/20 0.75
KAT2B Q92831 1/20 0.75
ALDH1A1 P00352 4/20 0.68
HPGD P15428 2/20 0.68
TSHR P16473 1/20 0.68
MAPK1 P28482 1/20 0.57
MAPT P10636 3/20 0.55
POLB P06746 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HSD17B10 Q99714 1/20 0.53
HDAC1 Q13547 2/20 0.52
HTT P42858 1/20 0.49
CYP2C9 P11712 1/20 0.49

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 SCHEMBL19118816 0.98 KDM4E (0.73) KDM4EPKMLMNAADORA3ADORA2A
SCHEMBL4775643 0.87 KDM4E (0.64) KDM4EPKMLMNAADORA3ADORA2A
SCHEMBL10242704 0.87 KDM4E (0.73) KDM4EPKMLMNAADORA3ADORA2A
SCHEMBL6314682 0.86 PKM (0.75) KDM4EPKMLMNAADORA3ADORA2A
SCHEMBL6320885 0.86 HPGD (0.81) KDM4EPKMLMNAADORA3ADORA2A
SCHEMBL193027 0.86 KDM4E (0.71) KDM4EPKMLMNAADORA3ADORA2A
SCHEMBL5010589 0.86 KDM4E (1.00) KDM4EPKMLMNAADORA3ADORA2A
SCHEMBL3327114 0.85 PKM (1.00) KDM4EPKMLMNAADORA3ADORA2A
SCHEMBL26843132 0.84 PKM (0.59) KDM4EPKMLMNAADORA3ADORA2A
SCHEMBL6314841 0.84 PKM (0.72) KDM4EPKMLMNAADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963313-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) MADRIGAL PHARMACEUTICALS INC (US) 2012-11-14 EP claimed
EP-1745009-B1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2012-11-14 EP claimed
CN-101903339-B Substituted N-phenyl-bipyrrolidine carboxamides and their therapeutic use SANOFI AVENTIS 2012-06-27 CN claimed
EP-2197875-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-06-23 EP claimed
US-20100137312-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US claimed
EP-2148868-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-02-03 EP claimed
CN-100488962-C Derivative of thiadiazoles containing cyclo oxdiazole, synthetic method, and biological activity UNIV NANKAI (CN) 2009-05-20 CN claimed
WO-2009037222-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2009-03-26 WO claimed
CN-101316844-A Inhibitors of diacylglycerol acyltransferase (DGAT) HOFFMANN LA ROCHE (CH) 2008-12-03 CN claimed
WO-2008138917-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-20 WO claimed
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP claimed
EP-1745009-A1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP claimed
JP-2006513192-A 2006-04-20 JP claimed
WO-2005110971-A1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO claimed
CN-1665808-A Thiadiazoles or oxadiazoles and their use as inhibitors of JAK protein kinase VERTEX PHARMA (US) 2005-09-07 CN claimed
WO-2005019168-A2 FLUORINATED LYSINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
US-20050043292-A1 Fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors PFIZER INC 2005-02-24 US claimed
EP-1501829-A1 THIADIAZOLES OR OXADIAZOLES AND THEIR USE AS INHIBITORS OF JAK PROTEIN KINASE Vertex Pharmaceuticals Incorporated (US) 2005-02-02 EP claimed
WO-2004058753-A1 THIADIAZOLES OR OXADIAZOLES AND THEIR USE AS INHIBITORS OF JAK PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-07-15 WO claimed
US-20040038992-A1 Inhibitors of Jak protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2004-02-26 US claimed

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-20050043292-A1 Fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors DPP4, DPP7, ALPI KDM4E 196/4885PKM 43/4885LMNA 2354/4885
US-20040038992-A1 Inhibitors of Jak protein kinase JAK2, JAK1, JAK3 KDM4E 992/4885PKM 744/4885LMNA 4037/4885
US-20100137312-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS KCNH1, KCNJ2, KCNN2 KDM4E 711/4885PKM 455/4885LMNA 3540/4885

“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.