SCHEMBL5407979

SCHEMBL5407979

CN(C)CCCNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1NC(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STK17A Q9UEE5 4/20 0.46
▸ STK17B O94768 2/20 0.46
▸ LRRK2 Q5S007 5/20 0.45
▸ JAK2 O60674 2/20 0.45
▸ ROS1 P08922 1/20 0.45
▸ ALK Q9UM73 1/20 0.45
▸ JAK3 P52333 2/20 0.43
▸ BTK Q06187 2/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ ULK1 O75385 1/20 0.43
▸ PDK1 Q15118 1/20 0.43
▸ ULK2 Q8IYT8 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ NTRK1 P04629 2/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ PTK2 Q05397 1/20 0.41

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
SCHEMBL5405428 0.95 LRRK2 (0.47) STK17ASTK17BLRRK2JAK2ROS1
SCHEMBL5405435 0.87 LRRK2 (0.51) LRRK2JAK2ROS1ALKJAK3
SCHEMBL5410579 0.87 LRRK2 (0.57) LRRK2JAK2ROS1ALKJAK3
SCHEMBL5416251 0.84 LRRK2 (0.60) LRRK2JAK2ROS1ALK
SCHEMBL5414022 0.82 LRRK2 (0.47) LRRK2JAK2ROS1ALKJAK3
SCHEMBL5408196 0.76 MEN1 (0.54) LRRK2JAK2ROS1ALKBRD4
SCHEMBL5410626 0.75 MEN1 (0.56) LRRK2JAK2ROS1ALKBRD4
SCHEMBL5409983 0.75 MEN1 (0.56) LRRK2JAK2ROS1ALKBRD4
SCHEMBL5415243 0.75 STK17A (0.62) STK17ASTK17B
SCHEMBL5411594 0.75 BRD4 (0.58) LRRK2JAK2ALKBRD4NTRK1

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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