SCHEMBL5418862

SCHEMBL5418862

CNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1N1C(=O)CNC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17A Q9UEE5 2/20 0.42
▸ STK17B O94768 1/20 0.42
▸ LRRK2 Q5S007 3/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ BRD4 O60885 3/20 0.41
▸ INSR P06213 3/20 0.39
▸ ALK Q9UM73 3/20 0.39
▸ MET P08581 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ VRK1 Q99986 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ TNK2 Q07912 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ SYK P43405 1/20 0.37

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
SCHEMBL5419348 0.81 BRD4 (0.43) STK17ASTK17BLRRK2JAK2BRD4
SCHEMBL5405501 0.80 STK17A (0.43) STK17ASTK17BLRRK2JAK2BRD4
SCHEMBL5405496 0.80 ALK (0.42) STK17ASTK17BLRRK2JAK2BRD4
SCHEMBL5405560 0.77 BRD4 (0.45) STK17ASTK17BLRRK2JAK2BRD4
SCHEMBL5415299 0.77 LRRK2 (0.50) STK17ASTK17BLRRK2JAK2BRD4
SCHEMBL5402321 0.72 STK17A (0.55) STK17ASTK17BLRRK2JAK2BRD4
SCHEMBL5422174 0.70 STK17A (0.47) STK17ASTK17BLRRK2JAK2BRD4
SCHEMBL5410032 0.70 GSK3B (0.54) STK17ASTK17BLRRK2JAK2BRD4
SCHEMBL5402525 0.69 GLO1 (0.50) STK17ASTK17BLRRK2JAK2BRD4
SCHEMBL5422238 0.69 STK17A (0.47) STK17ASTK17BLRRK2JAK2BRD4

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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