SCHEMBL1016413

SCHEMBL1016413

O=C(O)c1ccc2cnccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.58
CTSA P10619 2/20 0.46
KDM4E B2RXH2 6/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
NAPRT Q6XQN6 2/20 0.44
HCAR2 Q8TDS4 2/20 0.44
ALOX15 P16050 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL27776426 0.86 KDM4E (0.50) MGAMCTSAKDM4EHDAC3HDAC1
Allylamine SCHEMBL8152484 0.86 MGAM (0.45) MGAMCTSAKDM4EKMT2AMEN1
SCHEMBL2881764 0.85 MGAM (0.58) MGAMKDM4EKMT2AMEN1LMNA
Ethyl Acetate SCHEMBL29178560 0.84 CTSA (0.45) MGAMCTSAKDM4EKMT2AMEN1
SCHEMBL10201993 0.83 CTSA (0.45) MGAMCTSAKDM4EHDAC3HDAC1
SCHEMBL3282791 0.83 ADORA3 (0.46) MGAMCTSAKDM4ETDP1TSHR
SCHEMBL4894481 0.83 CTSA (0.42) MGAMCTSAKDM4ETSHRHDAC3
SCHEMBL4894482 0.81 CTSA (0.40) MGAMCTSAKDM4EKMT2AMEN1
SCHEMBL5210996 0.80 ADRB2 (0.44) MGAMCTSAHDAC3HDAC1HDAC2
SCHEMBL12664041 0.79 CTSA (0.43) MGAMCTSAKDM4ELMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428456-B2 1-[m-carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide derivatives ACTELION PHARMACEUTICALS LTD (CH) 2016-08-30 US claimed
EP-2864315-A2 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-HETEROCYCLYL-CARBOXAMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2015-04-29 EP claimed
WO-2013190508-A2 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-HETEROCYCLYL-CARBOXAMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-12-27 WO claimed
US-20130345199-A1 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-PIPERIDINE-4-CARBOXAMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-26 US claimed
EP-2310356-B1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME LUNDBECK & CO AS H (DK) 2013-08-14 EP claimed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US claimed
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 US claimed
US-20080207677-A1 Napthyridine Compounds As Rock Inhibitors GPC BIOTECH AG (DE) 2008-08-28 US claimed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US claimed
US-5652219-A Hemoregulatory peptides SMITHKLINE BEECHAM CORPORATION (US) 1997-07-29 US claimed
EP-0701446-A4 HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORP (US) 1997-04-23 EP claimed
EP-0621788-A4 HEMOREGULATORY PEPTIDES. SMITHKLINE BEECHAM CORP (US) 1997-03-05 EP claimed
EP-0725651-A4 HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORP (US) 1997-03-05 EP claimed
EP-0725651-A1 HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORPORATION (US) 1996-08-14 EP claimed
EP-0701446-A1 HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORPORATION (US) 1996-03-20 EP claimed
WO-1995011693-A1 HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORPORATION (US) 1995-05-04 WO claimed
WO-1994027627-A1 HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORPORATION (US) 1994-12-08 WO claimed
EP-0621788-A1 HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORPORATION (US) 1994-11-02 EP claimed
WO-1993013789-A1 HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 WO 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 (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-20080207677-A1 Napthyridine Compounds As Rock Inhibitors ROCK2, ROCK1, RHOT2 MGAM 4115/4885CTSA 3764/4885KDM4E 3145/4885
US-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP MGAM 3693/4885CTSA 2384/4885KDM4E 2352/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B MGAM 3153/4885CTSA 3863/4885KDM4E 2749/4885
US-20130345199-A1 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-PIPERIDINE-4-CARBOXAMIDE DERIVATIVES CXCR1, CXCR5, CXCR4 MGAM 4668/4885CTSA 2595/4885KDM4E 1526/4885

“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.