SCHEMBL5422174

SCHEMBL5422174

CNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1NC=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STK17A Q9UEE5 4/20 0.47
▸ STK17B O94768 2/20 0.47
▸ LRRK2 Q5S007 9/20 0.47
▸ JAK2 O60674 2/20 0.47
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ SYK P43405 1/20 0.41
▸ BRD4 O60885 2/20 0.41
▸ NPY5R Q15761 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ AURKA O14965 1/20 0.39

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
SCHEMBL5405547 0.86 LRRK2 (0.50) STK17ASTK17BLRRK2JAK2HDAC3
SCHEMBL5415948 0.82 HDAC3 (0.49) STK17ASTK17BLRRK2JAK2HDAC3
SCHEMBL5422238 0.82 STK17A (0.47) STK17ASTK17BLRRK2JAK2HDAC3
SCHEMBL5402525 0.82 GLO1 (0.50) STK17ASTK17BLRRK2JAK2HDAC3
SCHEMBL5415421 0.81 STK17A (0.48) STK17ASTK17BLRRK2JAK2HDAC3
SCHEMBL5408198 0.81 HDAC3 (0.48) STK17ASTK17BLRRK2JAK2HDAC3
SCHEMBL5413337 0.81 PTGS1 (0.51) STK17ASTK17BLRRK2HDAC1BRD4
SCHEMBL5405568 0.80 BRD4 (0.52) STK17ASTK17BLRRK2JAK2HDAC3
SCHEMBL5418427 0.80 HDAC3 (0.47) STK17ASTK17BLRRK2JAK2HDAC3
SCHEMBL5418456 0.80 STK17A (0.47) STK17ASTK17BLRRK2JAK2HDAC3

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 3455/4885LRRK2 619/4885
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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