SCHEMBL21381209

SCHEMBL21381209

O=Cc1cnc(NCc2ccncc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.58
HDAC6 Q9UBN7 4/20 0.58
HDAC3 O15379 3/20 0.58
HDAC2 Q92769 3/20 0.58
VNN1 O95497 5/20 0.48
HDAC4 P56524 1/20 0.45
KCNH3 Q9ULD8 2/20 0.42
ACACB O00763 2/20 0.42
ADRA2C P18825 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29954826 0.84 VNN1 (0.58) HDAC1HDAC6HDAC3HDAC2VNN1
SCHEMBL21381213 0.81 HDAC3 (0.61) HDAC1HDAC6HDAC3HDAC2VNN1
SCHEMBL21381218 0.81 VNN1 (0.54) VNN1KCNH3
SCHEMBL20185852 0.80 VNN1 (0.53) HDAC1HDAC6HDAC3HDAC2VNN1
SCHEMBL22191474 0.79 HDAC1 (0.58) HDAC1HDAC6HDAC3HDAC2VNN1
SCHEMBL18249767 0.78 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC2VNN1
SCHEMBL12674818 0.77 VNN1 (0.63) HDAC6VNN1ACACB
SCHEMBL23094442 0.76 HDAC1 (0.59) HDAC1HDAC6HDAC3HDAC2VNN1
SCHEMBL4066965 0.76 MEN1 (0.50) HDAC1HDAC6SMN1; SMN2
SCHEMBL18306898 0.75 F2 (0.49) HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292157-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2019-09-26 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-20190292157-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME VNN1, VAT1, CMA1 HDAC1 395/4885HDAC6 767/4885HDAC3 1227/4885

“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.