SCHEMBL7142011

SCHEMBL7142011

C=CC(=O)c1cccc(N(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.52
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 3/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 6/20 0.47
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
PTPN1 P18031 3/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALOX15 P16050 2/20 0.47
EGFR P00533 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
PKM P14618 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL300438 0.79 MAPT (0.62) AKT1KMT2AKDM4EMAPTALDH1A1
SCHEMBL29728324 0.79 MAPT (0.62) AKT1KMT2AKDM4EMAPTALDH1A1
Naphthalene SCHEMBL28260011 0.79 AKT1 (0.63) AKT1KMT2AL3MBTL1LMNAKDM4E
SCHEMBL28234050 0.79 PTPN1 (0.47) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL7056764 0.79 HPGD (0.59) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL1423956 0.79 KMT2A (0.53) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL334924 0.77 KDM4E (0.56) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL222176 0.77 KMT2A (0.58) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL29625195 0.77 KMT2A (0.58) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL10697553 0.77 MAPT (0.59) AKT1KMT2ALMNAPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6586441-B2 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders HOFFMAN-LA ROCHE INC. 2003-07-01 US disclosed
EP-1261327-A2 ADENOSINE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 US disclosed
WO-2001062233-A2 ADENOSINE RECEPTOR MODULATORS F. HOFFMANN LA ROCHE AG (CH) 2001-08-30 WO disclosed
EP-0233461-B1 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 1996-03-20 EP disclosed
US-5462943-A Substituted acetic acid esters useful as pesticides per se and as intermediates for substitued acrylic esters pesticides BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0439785-B1 Substituted 2-[6-(pyrimidinyl)-indol-1-yl]-acrylic acid ester BAYER AG (DE) 1995-09-27 EP disclosed
US-5262416-A Insecticides or fungicides BAYER AKTIENGESELLSCHAFT (DE) 1993-11-16 US disclosed
US-5182286-A Fungicides, insecticides BAYER AKTIENGESELLSCHAFT (DE) 1993-01-26 US disclosed
US-4876252-A ADMINISTERING ANTIASTHMATIC OR ANTIALLERGEN AMERICAN CYANAMID COMPANY (US) 1989-10-24 US disclosed
US-4847256-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
US-4788195-A TREATING ASTHMA, ALLERGIC DISEASES, INFLAMMATION AND DIABETES IN MAMMALS AMERICAN CYANAMID COMPANY (US) 1988-11-29 US disclosed
US-4755599-A 3-phenyl-2-propeneamine derivatives, their preparation and composition containing them RHONE-POULENC SANTE (FR) 1988-07-05 US disclosed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP disclosed
EP-0233461-A2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID COMPANY (US) 1987-08-26 EP disclosed
US-4686309-A ANTIDEPRESSANTS RHONE-POULENC SANTE (FR) 1987-08-11 US disclosed
US-4236005-A ANTIANXIETY AMERICAN CYANAMID COMPANY (US) 1980-11-25 US disclosed
US-4209621-A TRANQUILIZERS AMERICAN CYANAMID COMPANY (US) 1980-06-24 US disclosed
US-4178449-A Pyrazolo[1,5-a]pyrimidines and imidazo-[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1979-12-11 US 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-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease ADORA2A, ADORA2B, ADORA1 AKT1 1469/4885KMT2A 2463/4885L3MBTL1 2681/4885

“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.