SCHEMBL5414041

SCHEMBL5414041

CCN(CC)C(=O)Nc1cnc(Nc2ccc(Cl)c(Cl)c2)nc1NC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17A Q9UEE5 2/20 0.44
▸ STK17B O94768 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ LRRK2 Q5S007 6/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ALK Q9UM73 3/20 0.40
▸ WEE1 P30291 1/20 0.40
▸ MET P08581 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ITK Q08881 1/20 0.39
▸ CYP3A4 P08684 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
SCHEMBL5410091 0.88 APEX1 (0.53) STK17ASTK17BHDAC3HDAC1HDAC2
SCHEMBL5406186 0.87 BTK (0.50) STK17ASTK17BHDAC3HDAC1HDAC2
SCHEMBL5422198 0.87 STK17A (0.42) STK17ASTK17BHDAC3HDAC1HDAC2
SCHEMBL5413822 0.86 CYP3A4 (0.53) STK17ASTK17BHDAC3HDAC1HDAC2
SCHEMBL5418520 0.85 LRRK2 (0.49) STK17ASTK17BHDAC3HDAC1HDAC2
SCHEMBL5415948 0.85 HDAC3 (0.49) STK17ASTK17BHDAC3HDAC1HDAC2
SCHEMBL5415300 0.84 BRD4 (0.46) STK17ASTK17BHDAC3HDAC1HDAC2
SCHEMBL5408198 0.84 HDAC3 (0.48) STK17ASTK17BHDAC3HDAC1HDAC2
SCHEMBL5415421 0.84 STK17A (0.48) STK17ASTK17BHDAC3HDAC1HDAC2
SCHEMBL5415230 0.83 EGFR (0.48) STK17ASTK17BHDAC3HDAC1HDAC2

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 3455/4885HDAC3 4754/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 STK17A 3456/4885STK17B 3502/4885HDAC3 4861/4885

“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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