SCHEMBL214049

SCHEMBL214049

O=CNc1ccc(C(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
NPC1 O15118 5/20 0.49
PTGS1 P23219 1/20 0.49
GAA P10253 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CDK5 Q00535 3/20 0.47
CDK5R1 Q15078 3/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 2/20 0.47
GFER P55789 1/20 0.47
HTT P42858 1/20 0.46
POLB P06746 2/20 0.46
XPO1 O14980 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.43
RPS6KA3 P51812 1/20 0.43
FGFR4 P22455 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
DEGS1 O15121 1/20 0.43

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
SCHEMBL2359971 0.86 KIF11 (0.43) RAB9ANPC1PTGS1DEGS1
SCHEMBL24527456 0.81 RAB9A (0.47) RAB9ANPC1PTGS1GAAKMT2A
SCHEMBL8989471 0.78 RAB9A (0.51) RAB9ANPC1PTGS1GAAKMT2A
SCHEMBL30472760 0.75 RAB9A (0.45) RAB9ANPC1PTGS1GAAKMT2A
SCHEMBL29525907 0.75 PTGS1 (0.53) RAB9ANPC1PTGS1GAAKMT2A
SCHEMBL30826962 0.75 RAB9A (0.49) RAB9ANPC1PTGS1GAAKMT2A
SCHEMBL11900358 0.75 GAA (0.49) RAB9ANPC1PTGS1GAAKMT2A
SCHEMBL116298 0.75 RAB9A (0.49) RAB9ANPC1PTGS1GAAKMT2A
SCHEMBL587272 0.75 PTGS1 (0.53) RAB9ANPC1PTGS1GAAKMT2A
SCHEMBL212099 0.75 FFAR2 (0.40) RAB9ANPC1KMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718617-B1 3-SUBSTITUTED 1,5-DIPHENYLPYRAZOLE DERIVATIVES USEFUL AS CB1 MODULATORS ASTRAZENECA AB (SE) 2009-08-19 EP claimed
US-20080146614-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-06-19 US claimed
EP-1831177-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2007-09-12 EP claimed
WO-2006067443-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2006-06-29 WO claimed
EP-3095780-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2016-11-23 EP disclosed
US-9271499-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-9271499-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-9266830-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-23 US disclosed
US-9266830-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-23 US disclosed
US-20150073139-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-12 US disclosed
US-20150073139-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-12 US disclosed
US-20150011553-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2015-01-08 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
WO-2010124845-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-11-04 WO disclosed
US-20100216792-A1 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2010-08-26 US disclosed
US-20100216792-A1 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2010-08-26 US disclosed
EP-2014285-B1 NPYY5 antagonists SHIONOGI & CO (JP) 2010-05-05 EP disclosed
US-20080146614-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-06-19 US disclosed
EP-1831177-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006067443-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2006-06-29 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 (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-20150011553-A1 Pesticidal Arylpyrrolidines DDT, AADAC, AHR RAB9A 1366/4885NPC1 3771/4885PTGS1 1199/4885
US-20100216792-A1 Pesticidal arylpyrrolidines DDT, AADAC, AHR RAB9A 1366/4885NPC1 3771/4885PTGS1 1199/4885
US-20150073139-A1 Pesticidal Arylpyrrolidines DDT, ACHE, QDPR RAB9A 1741/4885NPC1 4455/4885PTGS1 1278/4885
US-20080146614-A1 Therapeutic Agents BDNF, NLN, GRIN2C RAB9A 2242/4885NPC1 52/4885PTGS1 489/4885

“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.