SCHEMBL259287

SCHEMBL259287

O=c1[nH]cnc2c1oc1ncccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
PIM1 P11309 3/20 0.50
CDC7 O00311 2/20 0.50
CSNK2A1 P68400 2/20 0.50
PIM3 Q86V86 2/20 0.50
PIM2 Q9P1W9 2/20 0.50
IGF1R P08069 2/20 0.50
CLK2 P49760 2/20 0.50
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
DYRK1A Q13627 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A3 Q8NEV1 1/20 0.50
DYRK3 O43781 1/20 0.50
PKN2 Q16513 1/20 0.50
PARP1 P09874 8/20 0.44
ALDH1A1 P00352 2/20 0.44
ACVR1 Q04771 2/20 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
SCHEMBL1857738 0.78 KDM4E (1.00) KDM4EPIM1CDC7CSNK2A1PIM3
SCHEMBL20361158 0.76 KDM4E (0.52) KDM4EPIM1CDC7CSNK2A1PIM3
SCHEMBL6111654 0.75 KDM4E (0.51) KDM4EPIM1CDC7CSNK2A1PIM3
SCHEMBL19024722 0.74 PARP1 (0.62) KDM4EPIM1CDC7CSNK2A1PIM3
SCHEMBL30080982 0.73 KDM4E (0.64) KDM4EPIM1CDC7CSNK2A1PIM3
SCHEMBL20502910 0.73 KDM4E (0.64) KDM4EPIM1CDC7CSNK2A1PIM3
SCHEMBL259214 0.72 TNKS (0.49) KDM4EPIM1CDC7CSNK2A1PIM3
SCHEMBL334691 0.71 PARP1 (0.55) KDM4EPIM1IGF1RCLK2GSK3A
SCHEMBL73124 0.71 KDM4E (0.57) KDM4EPIM1CDC7CSNK2A1PIM3
SCHEMBL27164741 0.70 KDM4E (0.76) KDM4EPIM1CDC7CSNK2A1PIM3

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-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
WO-2006010568-A3 SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, AND USE THEREOF AS INHIBITORS OF TNF-ALPHA RELEASE CURACYTE DISCOVERY GMBH (DE) 2006-09-14 WO disclosed
WO-2006010568-A2 SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, AND USE THEREOF AS INHIBITORS OF TNF-ALPHA RELEASE CURACYTE DISCOVERY GMBH (DE) 2006-02-02 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 (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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A KDM4E 2196/4885PIM1 865/4885CDC7 135/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A KDM4E 2196/4885PIM1 865/4885CDC7 135/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A KDM4E 2196/4885PIM1 865/4885CDC7 135/4885

“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.