SCHEMBL12200549

SCHEMBL12200549

CCOC(=O)COc1ccc2nc(C)sc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HSD17B10 Q99714 2/20 0.47
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 3/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CASP1 P29466 1/20 0.43
USP2 O75604 1/20 0.41
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL3511089 0.87 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL2669096 0.85 KMT2A (0.43) ALDH1A1KDM4ESMN1; SMN2HSD17B10NPSR1
SCHEMBL13652939 0.82 HSD17B10 (0.42) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD
SCHEMBL971465 0.79 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL12200548 0.76 MAPT (0.38) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL12636201 0.74 ACACB (0.33) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL25280744 0.74 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL6601697 0.73 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL2669105 0.73 PIK3CD (0.43) ALDH1A1KDM4ESMN1; SMN2NPSR1HPGD
SCHEMBL10049899 0.71 PDE10A (0.44) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA

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-9452977-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9452977-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2015-04-16 US disclosed
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2015-04-16 US disclosed
US-8946440-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-8946440-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-8034819-B2 Glucokinase activator KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-10-11 US disclosed
US-8034819-B2 Glucokinase activator KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-10-11 US disclosed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 US disclosed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 US disclosed
US-20100099671-A1 GLUCOKINASE ACTIVATOR TEIJIN LIMITED (JP) 2010-04-22 US disclosed
US-20100099671-A1 GLUCOKINASE ACTIVATOR TEIJIN LIMITED (JP) 2010-04-22 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 (3 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-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 ALDH1A1 606/4885KDM4E 2516/4885SMN1; SMN2 3312/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 ALDH1A1 606/4885KDM4E 2516/4885SMN1; SMN2 3312/4885
US-20100099671-A1 GLUCOKINASE ACTIVATOR GCK, GCKR, GALK1 ALDH1A1 2196/4885KDM4E 3701/4885SMN1; SMN2 3600/4885

“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.