SCHEMBL5405560

SCHEMBL5405560

CNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1N1CCN(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.45
▸ STK17A Q9UEE5 2/20 0.42
▸ STK17B O94768 1/20 0.42
▸ TNK2 Q07912 1/20 0.42
▸ LRRK2 Q5S007 3/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ FLT3 P36888 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
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ AXL P30530 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ PAK1 Q13153 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
SCHEMBL5419348 0.83 BRD4 (0.43) BRD4STK17ASTK17BTNK2LRRK2
SCHEMBL5405496 0.82 ALK (0.42) BRD4STK17ASTK17BTNK2LRRK2
SCHEMBL5418862 0.77 STK17A (0.42) BRD4STK17ASTK17BTNK2LRRK2
SCHEMBL5415299 0.77 LRRK2 (0.50) BRD4STK17ASTK17BLRRK2JAK2
SCHEMBL5405501 0.76 STK17A (0.43) BRD4STK17ASTK17BTNK2LRRK2
SCHEMBL5402321 0.75 STK17A (0.55) BRD4STK17ASTK17BLRRK2JAK2
SCHEMBL5411594 0.71 BRD4 (0.58) BRD4LRRK2JAK2SMN1; SMN2
SCHEMBL5408196 0.70 MEN1 (0.54) BRD4LRRK2JAK2MEN1MAPT
SCHEMBL5422174 0.70 STK17A (0.47) BRD4STK17ASTK17BLRRK2JAK2
SCHEMBL5410032 0.70 GSK3B (0.54) BRD4STK17ASTK17BLRRK2JAK2

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 BRD4 3015/4885STK17A 3301/4885STK17B 3455/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 BRD4 1419/4885STK17A 3456/4885STK17B 3502/4885

“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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