SCHEMBL5405536

SCHEMBL5405536

CNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1NC(=O)N1CCN(C(C)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 7/20 0.54
▸ EGFR P00533 7/20 0.51
▸ SYK P43405 3/20 0.51
▸ LRRK2 Q5S007 2/20 0.50
▸ BRD4 O60885 1/20 0.49
▸ JAK2 O60674 1/20 0.46

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
SCHEMBL5411594 0.92 BRD4 (0.58) ALKLRRK2BRD4JAK2
SCHEMBL5408196 0.92 MEN1 (0.54) ALKLRRK2BRD4JAK2
SCHEMBL5410626 0.91 MEN1 (0.56) ALKLRRK2BRD4JAK2
SCHEMBL5409983 0.91 MEN1 (0.56) ALKLRRK2BRD4JAK2
SCHEMBL5405395 0.89 LRRK2 (0.51) ALKLRRK2BRD4JAK2
SCHEMBL5416251 0.89 LRRK2 (0.60) ALKLRRK2JAK2
SCHEMBL5415948 0.84 HDAC3 (0.49) ALKEGFRLRRK2BRD4JAK2
SCHEMBL5408198 0.83 HDAC3 (0.48) ALKSYKLRRK2BRD4JAK2
SCHEMBL5416137 0.81 HDAC3 (0.46) ALKEGFRLRRK2BRD4JAK2
SCHEMBL5415421 0.81 STK17A (0.48) ALKSYKLRRK2BRD4JAK2

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 ALK 3651/4885EGFR 3316/4885SYK 1842/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 ALK 2986/4885EGFR 3952/4885SYK 818/4885

“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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