SCHEMBL5405501

SCHEMBL5405501

CNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1N1C=CCNC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17A Q9UEE5 4/20 0.43
▸ STK17B O94768 2/20 0.43
▸ BRD4 O60885 4/20 0.40
▸ LRRK2 Q5S007 3/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ TNK2 Q07912 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ KDR P35968 1/20 0.37
▸ RPS6KA6 Q9UK32 1/20 0.37
▸ INSR P06213 1/20 0.37
▸ MET P08581 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CCND2 P30279 1/20 0.36
▸ CCND3 P30281 1/20 0.36
▸ AXL P30530 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
SCHEMBL5419348 0.82 BRD4 (0.43) STK17ASTK17BBRD4LRRK2JAK2
SCHEMBL5405496 0.80 ALK (0.42) STK17ASTK17BBRD4LRRK2JAK2
SCHEMBL5418862 0.80 STK17A (0.42) STK17ASTK17BBRD4LRRK2JAK2
SCHEMBL5405560 0.76 BRD4 (0.45) STK17ASTK17BBRD4LRRK2JAK2
SCHEMBL5415299 0.75 LRRK2 (0.50) STK17ASTK17BBRD4LRRK2JAK2
SCHEMBL5402321 0.71 STK17A (0.55) STK17ASTK17BBRD4LRRK2JAK2
SCHEMBL5405395 0.69 LRRK2 (0.51) BRD4LRRK2JAK2METALK
SCHEMBL5422174 0.69 STK17A (0.47) STK17ASTK17BBRD4LRRK2JAK2
SCHEMBL5410032 0.69 GSK3B (0.54) STK17ASTK17BBRD4LRRK2JAK2
SCHEMBL5402525 0.68 GLO1 (0.50) STK17ASTK17BBRD4LRRK2JAK2

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 6 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 claimed
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 — — US claimed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 — — US claimed
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 3455/4885BRD4 3015/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 STK17A 3456/4885STK17B 3502/4885BRD4 1419/4885

“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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