SCHEMBL19921205

SCHEMBL19921205

CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2c(Cl)c[nH]c12

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 0.78
▸ MAP3K9 P80192 1/20 0.72
▸ MKNK2 Q9HBH9 1/20 0.72
▸ JAK2 O60674 1/20 0.64
▸ TTK P33981 1/20 0.62

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
SCHEMBL18194346 0.92 LRRK2 (0.72) LRRK2MAP3K9MKNK2JAK2TTK
SCHEMBL29429993 0.87 LRRK2 (1.00) LRRK2MAP3K9MKNK2JAK2TTK
SCHEMBL18018784 0.87 LRRK2 (1.00) LRRK2MAP3K9MKNK2JAK2TTK
SCHEMBL19921131 0.84 LRRK2 (0.60) LRRK2MAP3K9MKNK2TTK
SCHEMBL29432560 0.84 LRRK2 (1.00) LRRK2MAP3K9MKNK2JAK2
SCHEMBL29567607 0.84 LRRK2 (1.00) LRRK2MAP3K9MKNK2JAK2
SCHEMBL7454021 0.84 LRRK2 (1.00) LRRK2MAP3K9MKNK2JAK2
SCHEMBL17980606 0.83 LRRK2 (0.77) LRRK2MAP3K9MKNK2JAK2TTK
SCHEMBL19921212 0.83 LRRK2 (0.67) LRRK2MAP3K9MKNK2TTK
SCHEMBL18018881 0.82 LRRK2 (1.00) LRRK2MAP3K9MKNK2JAK2

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
EP-3290420-B1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF UNIV XIAMEN (CN) 2020-12-09 — — EP claimed
US-20180312508-A1 PYRIMIDOPYRROLE COMPOUNDS, METHOD FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USES THEREOF XIAMEN UNIVERSITY (CN) 2018-11-01 — — US claimed
EP-3290420-A1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF Xiamen University (CN) 2018-03-07 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20180312508-A1 PYRIMIDOPYRROLE COMPOUNDS, METHOD FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USES THEREOF TPMT, DHPS, TYMP LRRK2 2861/4885MAP3K9 3080/4885MKNK2 4292/4885

“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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