SCHEMBL253529

SCHEMBL253529

CCc1ccc2nc(N)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.56
RAB9A P51151 8/20 0.48
SMN1; SMN2 Q16637 8/20 0.48
MAPT P10636 8/20 0.48
NPC1 O15118 7/20 0.48
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
KDM4E B2RXH2 6/20 0.48
HPGD P15428 5/20 0.48
TP53 P04637 4/20 0.48
HSD17B10 Q99714 3/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ALOX15 P16050 3/20 0.46
GAA P10253 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTT P42858 1/20 0.46
USP2 O75604 1/20 0.44

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
SCHEMBL240344 0.86 RAB9A (0.63) PIK3CGRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL14292518 0.82 PIK3CG (0.49) PIK3CGRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL9380420 0.82 PIK3CG (0.56) PIK3CGRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL13486442 0.81 PIK3CG (0.51) PIK3CGRAB9ASMN1; SMN2MAPTNPC1
Hydrochloric Acid SCHEMBL9374890 0.81 PIK3CG (0.59) PIK3CGRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL8170906 0.80 TAS1R3 (0.46) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL10222344 0.80 GAA (0.53) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9305682 0.79 RAB9A (0.46) PIK3CGRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL9304822 0.79 RAB9A (0.41) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9377336 0.77 PIK3CG (0.36) PIK3CGRAB9ASMN1; SMN2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
EP-3150609-A1 PROCESS FOR PREPARING CERTAIN CHEMICAL ENTITIES Intellikine, LLC (US) 2017-04-05 EP disclosed
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-20140206684-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-8703777-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2014-04-22 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20100041618-A1 6-11 Bridged Oxime Erythromycin Derivatives ENANTA PHARMACEUTICALS, INC. 2010-02-18 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-20080262208-A1 6-11 Bridged Oxime Erythromycin Derivatives WANG GUOQIANG 2008-10-23 US disclosed
US-7384922-B2 6-11 bridged oxime erythromycin derivatives ENANTA PHARMACEUTICALS, INC. (US) 2008-06-10 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 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 (14 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-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIK3CG 2/4885RAB9A 1042/4885SMN1; SMN2 3325/4885
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 7/4885RAB9A 741/4885SMN1; SMN2 1464/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PIK3CG 32/4885RAB9A 1166/4885SMN1; SMN2 2183/4885
US-20140206684-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CG 8/4885RAB9A 1012/4885SMN1; SMN2 2346/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 PIK3CG 4449/4885RAB9A 2601/4885SMN1; SMN2 4831/4885
US-20100041618-A1 6-11 Bridged Oxime Erythromycin Derivatives CYP2D6, CYP2B6, CYP1B1 PIK3CG 3032/4885RAB9A 2857/4885SMN1; SMN2 2350/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIK3CG 2/4885RAB9A 1042/4885SMN1; SMN2 3325/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PIK3CG 954/4885RAB9A 994/4885SMN1; SMN2 3714/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CG 8/4885RAB9A 1186/4885SMN1; SMN2 2859/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CG 15/4885RAB9A 867/4885SMN1; SMN2 1064/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 PIK3CG 4449/4885RAB9A 2601/4885SMN1; SMN2 4831/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 4/4885RAB9A 984/4885SMN1; SMN2 3072/4885
US-20080262208-A1 6-11 Bridged Oxime Erythromycin Derivatives CYP2D6, CYP2B6, CYP1B1 PIK3CG 3032/4885RAB9A 2857/4885SMN1; SMN2 2350/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 PIK3CG 4449/4885RAB9A 2601/4885SMN1; SMN2 4831/4885

“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.