SCHEMBL1759084

SCHEMBL1759084

O=C(O)c1cnc2ccnn2c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.38
ALDH1A1 P00352 6/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 5/20 0.36
KDM4A O75164 3/20 0.36
EGLN1 Q9GZT9 2/20 0.36
KDM6B O15054 2/20 0.36
KDM4D Q6B0I6 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
HIF1AN Q9NWT6 1/20 0.36
KDM6A O15550 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
SCHEMBL1759113 0.81 KDM4E (0.48) KDM4EALDH1A1GAAPKMTDP1
SCHEMBL21816406 0.81 KDM4E (0.51) KDM4EALDH1A1GAAPKMTDP1
SCHEMBL3620953 0.77 KDM4E (0.49) KDM4EALDH1A1GAAPKMTDP1
SCHEMBL25372053 0.74 KEAP1 (0.45) KDM4ETDP1SMN1; SMN2L3MBTL1DGAT1
SCHEMBL31259343 0.73 MALT1 (0.38) KDM4EALDH1A1GAAPKMTDP1
SCHEMBL31259448 0.73 MALT1 (0.38) KDM4EALDH1A1GAAPKMTDP1
SCHEMBL7447202 0.72 DGAT1 (0.37) DGAT1
SCHEMBL17781090 0.71 KDM4E (0.39) KDM4EALDH1A1GAATDP1SMN1; SMN2
SCHEMBL25373021 0.70 MALT1 (0.36) KDM4EALDH1A1HSD17B10KDM4CDGAT1
SCHEMBL9770304 0.70 RXFP1 (0.39) KDM4EALDH1A1TDP1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2947082-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2015-11-25 EP disclosed
US-9139587-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-09-22 US disclosed
EP-2676958-B1 N1-Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER (US) 2015-07-01 EP disclosed
US-20140288111-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2014-09-25 US disclosed
US-8802690-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-08-12 US disclosed
EP-2676958-A1 N1-Pyrazolospiroketone acetyl-CoA carboxylase inhibitors Pfizer Inc. (US) 2013-12-25 EP disclosed
EP-2499139-B1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2013-12-11 EP disclosed
US-20130296319-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. 2013-11-07 US disclosed
US-8507681-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2013-08-13 US disclosed
US-20130030181-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC. (US) 2013-01-31 US disclosed
US-8288405-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2012-10-16 US disclosed
EP-2499139-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2012-09-19 EP disclosed
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-09-06 US disclosed
WO-2011058474-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC 2011-05-12 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 (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-20140288111-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, PC, ACACB KDM4E 1385/4885ALDH1A1 164/4885GAA 612/4885
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB KDM4E 1385/4885ALDH1A1 164/4885GAA 612/4885
US-20130296319-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, PC, ACACB KDM4E 1311/4885ALDH1A1 161/4885GAA 551/4885
US-20130030181-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB KDM4E 1385/4885ALDH1A1 164/4885GAA 612/4885
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS ACACA, PC, ACACB KDM4E 1533/4885ALDH1A1 259/4885GAA 595/4885

“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.