SCHEMBL3492934

SCHEMBL3492934

NNC(=O)c1ccnc(NCc2ccccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
CA2 P00918 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3491007 0.83 VNN1 (0.49) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL3491837 0.80 JAK2 (0.50) SMN1; SMN2KDM4ENPC1RAB9ACYP1A2
SCHEMBL11155559 0.77 KDM4E (0.49) SMN1; SMN2KDM4ENPC1RAB9ACYP1A2
SCHEMBL3494002 0.76 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC6POLB
SCHEMBL229311 0.74 CXCR4 (0.68) SMN1; SMN2KDM4ENPC1RAB9ACYP1A2
SCHEMBL30487250 0.74 CXCR4 (0.68) SMN1; SMN2KDM4ENPC1RAB9ACYP1A2
SCHEMBL15716863 0.74 MAPT (0.54) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL15830499 0.74 NOS2 (0.67) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL11180350 0.73 HCAR3 (0.48) SMN1; SMN2KDM4ELMNACYP1A2CYP3A4
SCHEMBL11344387 0.73 KDM4E (0.45) HDAC1HDAC6KDM4ECYP1A2CYP3A4

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 HDAC3 96/4885HDAC1 102/4885HDAC2 182/4885

“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.