SCHEMBL242000

SCHEMBL242000

CCc1ccc2nc(NC(C)=O)sc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 12/20 0.72
RAB9A P51151 7/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
NPC1 O15118 4/20 0.67
STAT1 P42224 1/20 0.67
CYP1A2 P05177 3/20 0.66
CYP2C19 P33261 3/20 0.66
CYP2C9 P11712 2/20 0.66
CYP3A4 P08684 2/20 0.66
FSCN1 Q16658 1/20 0.66
PDPK1 O15530 1/20 0.66
PIK3CG P48736 2/20 0.65
PIK3CA P42336 1/20 0.65
PIK3CB P42338 1/20 0.65
PI4KB Q9UBF8 1/20 0.65
KDM4E B2RXH2 1/20 0.65
MEN1 O00255 1/20 0.65
ALDH1A1 P00352 1/20 0.65
TP53 P04637 1/20 0.65
MAPT P10636 1/20 0.65

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
SCHEMBL9885125 0.89 DYRK1A (0.68) DYRK1ARAB9ASMN1; SMN2NPC1STAT1
SCHEMBL13486514 0.87 RAB9A (0.66) DYRK1ARAB9ASMN1; SMN2NPC1STAT1
SCHEMBL16896939 0.87 RAB9A (0.67) DYRK1ARAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL240597 0.86 SMN1; SMN2 (0.72) DYRK1ARAB9ASMN1; SMN2NPC1STAT1
SCHEMBL13486431 0.85 DYRK1A (0.67) DYRK1ARAB9ASMN1; SMN2NPC1STAT1
SCHEMBL13766404 0.85 RAB9A (0.63) DYRK1ARAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL7734175 0.85 DYRK1A (0.67) DYRK1ARAB9ASMN1; SMN2NPC1STAT1
SCHEMBL13766447 0.84 RAB9A (0.68) DYRK1ARAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL2175580 0.84 DYRK1A (1.00) DYRK1ARAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL6218888 0.82 DYRK1A (0.60) DYRK1ARAB9ASMN1; SMN2NPC1STAT1

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-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-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 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-20080262208-A1 6-11 Bridged Oxime Erythromycin Derivatives WANG GUOQIANG 2008-10-23 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 (11 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 DYRK1A 2694/4885RAB9A 1042/4885SMN1; SMN2 3325/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA DYRK1A 1201/4885RAB9A 1166/4885SMN1; SMN2 2183/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB DYRK1A 1783/4885RAB9A 741/4885SMN1; SMN2 1464/4885
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 DYRK1A 673/4885RAB9A 2801/4885SMN1; SMN2 4472/4885
US-20100041618-A1 6-11 Bridged Oxime Erythromycin Derivatives CYP2D6, CYP2B6, CYP1B1 DYRK1A 1215/4885RAB9A 2857/4885SMN1; SMN2 2350/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB DYRK1A 2694/4885RAB9A 1042/4885SMN1; SMN2 3325/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A DYRK1A 2987/4885RAB9A 1186/4885SMN1; SMN2 2859/4885
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3C3, PRKACA DYRK1A 1170/4885RAB9A 890/4885SMN1; SMN2 1812/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A DYRK1A 1502/4885RAB9A 867/4885SMN1; SMN2 1064/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB DYRK1A 2224/4885RAB9A 984/4885SMN1; SMN2 3072/4885
US-20080262208-A1 6-11 Bridged Oxime Erythromycin Derivatives CYP2D6, CYP2B6, CYP1B1 DYRK1A 1215/4885RAB9A 2857/4885SMN1; SMN2 2350/4885

“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.