SCHEMBL1759259

SCHEMBL1759259

O=C(O)c1cnc2c[nH]nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
HCAR2 Q8TDS4 4/20 0.40
P4HA1 P13674 3/20 0.38
P4HTM Q9NXG6 2/20 0.38
NOTUM Q6P988 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MIF P14174 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL22749174 0.84 HPGDS (0.45) KDM4ELMNAPSMD14SMN1; SMN2
SCHEMBL29538850 0.81 HDAC3 (0.33) MGAM
SCHEMBL1150699 0.73 MGAM (0.46) MGAMHCAR2P4HA1P4HTMCYP2C9
SCHEMBL16517303 0.72 MGAM (0.58) MGAMHCAR2P4HA1P4HTMNOTUM
SCHEMBL25401469 0.70 TDP1 (0.53) TDP1ALDH1A1KDM4EHSD17B10POLB
SCHEMBL31403709 0.69 HPGDS (0.50) MGAMALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL698486 0.68 MGAM (0.42) MGAMTDP1KDM4EGABRPGABRD
SCHEMBL31019286 0.68 PIM1 (0.32)
SCHEMBL8519849 0.68 MGAM (0.63) MGAMHCAR2P4HA1P4HTMCYP2C9
SCHEMBL69368 0.68 MGAM (0.68) MGAMP4HA1P4HTMCYP2C9CYP2C19

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059700-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-02-22 US disclosed
EP-2947082-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2015-11-25 EP disclosed
EP-2884981-A2 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2015-06-24 EP disclosed
WO-2014026327-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
WO-2014028589-A2 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
EP-2499139-B1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2013-12-11 EP disclosed
EP-2632925-A1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2013-09-04 EP disclosed
EP-2499139-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2012-09-19 EP disclosed
EP-2499140-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2012-09-19 EP disclosed
WO-2012056372-A1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-05-03 WO disclosed
WO-2011058473-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
WO-2011058474-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 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 (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-20240059700-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, ACAT2 MGAM 360/4885HCAR2 1202/4885P4HA1 887/4885

“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.