SCHEMBL5410579

SCHEMBL5410579

COCCNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1NC(=O)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 11/20 0.57
▸ ROS1 P08922 1/20 0.49
▸ ALK Q9UM73 1/20 0.49
▸ SYK P43405 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ JAK3 P52333 3/20 0.45
▸ BTK Q06187 3/20 0.45
▸ EPHA2 P29317 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ EPHB4 P54760 1/20 0.45
▸ PTK2 Q05397 2/20 0.45

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
SCHEMBL5405435 0.89 LRRK2 (0.51) LRRK2ROS1ALKJAK2JAK3
SCHEMBL5405428 0.88 LRRK2 (0.47) LRRK2ROS1ALKSYKJAK2
SCHEMBL5407979 0.87 STK17A (0.46) LRRK2ROS1ALKJAK2JAK3
SCHEMBL5416251 0.86 LRRK2 (0.60) LRRK2ROS1ALKJAK2
SCHEMBL5414022 0.80 LRRK2 (0.47) LRRK2ROS1ALKSYKJAK2
SCHEMBL5408196 0.78 MEN1 (0.54) LRRK2ROS1ALKJAK2
SCHEMBL5410626 0.77 MEN1 (0.56) LRRK2ROS1ALKJAK2
SCHEMBL5409983 0.77 MEN1 (0.56) LRRK2ROS1ALKJAK2
SCHEMBL5411594 0.76 BRD4 (0.58) LRRK2ALKJAK2
SCHEMBL5405536 0.76 ALK (0.54) LRRK2ALKSYKJAK2

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 LRRK2 619/4885ROS1 2088/4885ALK 3651/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 LRRK2 775/4885ROS1 2422/4885ALK 2986/4885

“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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