SCHEMBL3491007

SCHEMBL3491007

COC(=O)c1ccnc(NCc2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.49
KDM4E B2RXH2 5/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
KDM6B O15054 1/20 0.46
KDM5C P41229 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
KDM3A Q9Y4C1 1/20 0.46

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
SCHEMBL3492934 0.83 HDAC3 (0.51) VNN1KDM4EALOX15HSD17B10ALDH1A1
SCHEMBL3493205 0.79 NPC1 (0.52) KDM4EALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL3491530 0.77 L3MBTL1 (0.52) VNN1KDM4EALOX15HSD17B10ALDH1A1
SCHEMBL166100 0.76 MEN1 (0.64) KDM4EALOX15HSD17B10ALDH1A1MEN1
SCHEMBL24570216 0.76 KDM4C (0.51) KDM4EALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL17308606 0.76 MAOA (0.50) KDM4EHSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL19391190 0.76 KDM4C (0.51) KDM4EALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL15830499 0.76 NOS2 (0.67) VNN1KDM4EHSD17B10MEN1KMT2A
SCHEMBL16197542 0.76 KDM4C (0.48) KDM4EALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL22005801 0.74 KDM5C (0.55) KDM4EALOX15SMN1; SMN2NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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 (1 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP VNN1 4181/4885KDM4E 1112/4885ALOX15 3459/4885

“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.