SCHEMBL5409821

SCHEMBL5409821

CNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ JAK2 O60674 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ BTK Q06187 3/20 0.45
▸ BLK P51451 1/20 0.45
▸ P2RX3 P56373 1/20 0.45
▸ OPRK1 P41145 1/20 0.44
▸ TDO2 P48775 1/20 0.44
▸ SCD O00767 2/20 0.44
▸ EGFR P00533 3/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ ERBB2 P04626 1/20 0.43
▸ GLO1 Q04760 1/20 0.43
▸ MAPKAPK2 P49137 1/20 0.42

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
SCHEMBL5415230 0.87 EGFR (0.48) MEN1LMNAMAPTKMT2AALDH1A1
SCHEMBL5408068 0.85 LRRK2 (0.47) MEN1MAPTKMT2AJAK2LRRK2
SCHEMBL5418427 0.85 HDAC3 (0.47) JAK2LRRK2EGFRBRD4
SCHEMBL5413783 0.82 NPC1 (0.53) MAPTKMT2AJAK2LRRK2EGFR
SCHEMBL5415421 0.82 STK17A (0.48) JAK2LRRK2BRD4
SCHEMBL5418319 0.81 EGFR (0.45) LMNAMAPTHTTJAK2LRRK2
SCHEMBL5415948 0.81 HDAC3 (0.49) MEN1MAPTKMT2AJAK2LRRK2
SCHEMBL5413822 0.80 CYP3A4 (0.53) MEN1MAPTKMT2AJAK2LRRK2
SCHEMBL5408198 0.80 HDAC3 (0.48) ALDH1A1JAK2LRRK2NPC1RAB9A
SCHEMBL5416062 0.79 STK17A (0.44) JAK2LRRK2EGFRBRD4

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 MEN1 3119/4885LMNA 2087/4885MAPT 13/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 MEN1 2729/4885LMNA 1618/4885MAPT 12/4885

“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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