SCHEMBL264129

SCHEMBL264129

COCc1nocc1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
KDM4E B2RXH2 4/20 0.35
MAPT P10636 2/20 0.35
KLKB1 P03952 1/20 0.34
TSHR P16473 3/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL263365 0.84 HCAR2 (0.38) NPC1RAB9AKDM4ELMNAHSD17B10
SCHEMBL30231025 0.83 ALDH1A1 (0.34) NPC1RAB9ACA12CA1CA2
SCHEMBL29224285 0.78 KMT2A (0.33) KMT2AKDM4EMAPTTSHRLMNA
SCHEMBL30322918 0.76 CFTR (0.33) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL30321081 0.74 CHRNA4 (0.43) NPC1RAB9AMAPTTSHRLMNA
SCHEMBL164175 0.74 TSHR (0.38) CA12CA1CA2CA7CA9
SCHEMBL24076095 0.72 POLB (0.47) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL22439694 0.71 TSHR (0.46) KMT2AMEN1CA12CA1CA2
SCHEMBL2096719 0.71 BAZ2A (0.37) LMNAPOLB
SCHEMBL369544 0.70 NPC1 (0.39) NPC1RAB9AKMT2AMEN1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183241-B1 2-PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LTD (GB) 2012-12-19 EP disclosed
US-8134007-B2 Pyridine derivatives PFIZER INC. (US) 2012-03-13 US disclosed
US-8134007-B2 Pyridine derivatives PFIZER INC. (US) 2012-03-13 US disclosed
US-8134007-B2 Pyridine derivatives PFIZER INC. (US) 2012-03-13 US disclosed
US-20100227872-A1 PYRAZINE DERIVATIVES KEMP MARK IAN 2010-09-09 US disclosed
US-20100227872-A1 PYRAZINE DERIVATIVES KEMP MARK IAN 2010-09-09 US disclosed
US-20100227872-A1 PYRAZINE DERIVATIVES KEMP MARK IAN 2010-09-09 US disclosed
EP-2183241-A2 2-PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS Pfizer Limited (GB) 2010-05-12 EP disclosed
CN-101675040-A 2-pyridinecarboxamide derivatives as sodium channel modulators PFIZER LTD 2010-03-17 CN disclosed
EP-2155727-A1 N-[6-AMINO-5-(PHENYL)PYRAZIN-2-YL]-ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2010-02-24 EP disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
WO-2008135830-A1 N- [6-AMINO-S- (PHENYL) PYRAZIN-2-YL] -ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2008-11-13 WO disclosed
WO-2008135830-A1 N- [6-AMINO-S- (PHENYL) PYRAZIN-2-YL] -ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2008-11-13 WO disclosed
WO-2008135826-A2 2 -PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LIMITED (GB) 2008-11-13 WO disclosed
WO-2008135826-A2 2 -PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LIMITED (GB) 2008-11-13 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 (2 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-20100227872-A1 PYRAZINE DERIVATIVES CYP3A5, TRPV5, TRPV1 NPC1 2317/4885RAB9A 3366/4885KMT2A 4211/4885
US-20090048306-A1 PYRIDINE DERIVATIVES SDHA, P2RX4, P2RX3 NPC1 2285/4885RAB9A 2558/4885KMT2A 4299/4885

“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.