SCHEMBL5408266

SCHEMBL5408266

CNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1NC(=N)C(Cl)(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STK17A Q9UEE5 4/20 0.44
▸ STK17B O94768 2/20 0.44
▸ LRRK2 Q5S007 9/20 0.43
▸ JAK2 O60674 2/20 0.43
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ BRD4 O60885 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ PTK2 Q05397 1/20 0.38
▸ NPY5R Q15761 1/20 0.37
▸ JAK1 P23458 1/20 0.36
▸ EGFR P00533 1/20 0.36

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
SCHEMBL5418456 0.87 STK17A (0.47) STK17ASTK17BLRRK2JAK2HDAC1
SCHEMBL5415948 0.83 HDAC3 (0.49) STK17ASTK17BLRRK2JAK2HDAC1
SCHEMBL5415421 0.82 STK17A (0.48) STK17ASTK17BLRRK2JAK2HDAC1
SCHEMBL5408198 0.82 HDAC3 (0.48) STK17ASTK17BLRRK2JAK2HDAC1
SCHEMBL5413555 0.81 HDAC3 (0.46) STK17ASTK17BLRRK2JAK2HDAC1
SCHEMBL5418427 0.81 HDAC3 (0.47) STK17ASTK17BLRRK2JAK2HDAC1
SCHEMBL5410091 0.80 APEX1 (0.53) STK17ASTK17BLRRK2JAK2HDAC1
SCHEMBL5416137 0.80 HDAC3 (0.46) STK17ASTK17BLRRK2JAK2HDAC1
SCHEMBL5413822 0.80 CYP3A4 (0.53) STK17ASTK17BLRRK2JAK2HDAC1
SCHEMBL5408196 0.79 MEN1 (0.54) LRRK2JAK2HDAC1HDAC3HDAC2

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-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

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-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 STK17A 3456/4885STK17B 3502/4885LRRK2 775/4885

“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.

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