SCHEMBL19933784

SCHEMBL19933784

O=C(Cn1cc(-c2ccccc2)nn1)Nc1ccc(-c2ccccc2)cn1

nearest known ligand 0.89

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
SRC P12931 1/20 0.50
WNT3A P56704 1/20 0.50
KCNJ6 P48051 1/20 0.49
KCNJ5 P48544 1/20 0.49
KCNJ3 P48549 1/20 0.49

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
SCHEMBL19933778 0.94
SCHEMBL19933782 0.92 KDR (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21123907 0.90 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23774505 0.82 PDE4B (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8976870 0.79 HDAC1 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19933785 0.78
SCHEMBL224450 0.76 WNT3A (0.61) WNT3A
SCHEMBL11815716 0.75 SRC (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19933789 0.75 WNT3A (0.53) WNT3A
SCHEMBL19933865 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793544-B2 Disubstituted and trisubstituted 1,2,3-triazoles as Wnt inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2020-10-06 US disclosed
US-20190202804-A1 DISUBSTITUTED AND TRISUBSTITUTED 1,2,3-TRIAZOLES AS WNT INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2019-07-04 US disclosed
WO-2018045182-A1 DISUBSTITUTED AND TRISUBTITUTED 1,2,3-TRIAZOLES AS WNT INHIBITORS THE BOARD OF REGENTS OF HTE UNIVERSITY OF TEXAS SYSTEM (US) 2018-03-08 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 (2 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-20190202804-A1 DISUBSTITUTED AND TRISUBSTITUTED 1,2,3-TRIAZOLES AS WNT INHIBITORS WNT1, WNT3, WNT3A HDAC3 1832/4885HDAC4 1605/4885HDAC1 1071/4885
US-10793544-B2 Disubstituted and trisubstituted 1,2,3-triazoles as Wnt inhibitors WNT1, WNT3, WNT3A HDAC3 1832/4885HDAC4 1605/4885HDAC1 1071/4885

“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.