SCHEMBL5408742

SCHEMBL5408742

CCNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1N

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 15/20 0.58
STK17B O94768 10/20 0.58
BCL6 P41182 1/20 0.48
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
POLA1 P09884 1/20 0.43
BRD4 O60885 1/20 0.42
SLC2A1 P11166 1/20 0.42

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
SCHEMBL5411447 0.88 STK17A (0.66) STK17ASTK17B
SCHEMBL5402321 0.85 STK17A (0.55) STK17ASTK17BHDAC3HDAC1HDAC2
SCHEMBL5420012 0.84 STK17A (0.58) STK17ASTK17BSLC2A1
SCHEMBL5405290 0.84 STK17A (0.58) STK17ASTK17BSLC2A1
SCHEMBL5415243 0.83 STK17A (0.62) STK17ASTK17B
SCHEMBL5422291 0.82 STK17A (0.52) STK17ASTK17BBCL6HDAC3HDAC1
SCHEMBL5414085 0.80 STK17A (0.56) STK17ASTK17BBCL6BRD4
SCHEMBL5518128 0.79 CDK4 (0.45) STK17ASTK17B
SCHEMBL303236 0.78 STK17A (0.62) STK17ASTK17BBCL6BRD4
SCHEMBL10998426 0.77 HDAC3 (0.51) STK17ASTK17BHDAC3HDAC1HDAC2

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-7166599-B2 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US disclosed
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 US disclosed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 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 (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-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 STK17A 3301/4885STK17B 3455/4885BCL6 3532/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 STK17A 3456/4885STK17B 3502/4885BCL6 1709/4885

“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.