SCHEMBL24556837

SCHEMBL24556837

CNc1nc(Nc2ccc(S(=O)(=O)N3CCC(N4CCOCC4)CC3)cc2OC)nc2[nH]cc(Cl)c12

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 12/20 0.64
▸ ALK Q9UM73 3/20 0.47
▸ INSR P06213 1/20 0.46
▸ IGF1R P08069 1/20 0.46
▸ MAP3K9 P80192 1/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.45
▸ PTK2 Q05397 1/20 0.44
▸ ZAP70 P43403 1/20 0.44
▸ TTK P33981 2/20 0.43

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
SCHEMBL29409918 1.00 LRRK2 (0.64) LRRK2ALKINSRIGF1RMAP3K9
SCHEMBL29409854 0.94 LRRK2 (0.70) LRRK2ALKINSRMAP3K9MKNK2
SCHEMBL24556864 0.94 LRRK2 (0.70) LRRK2ALKINSRMAP3K9MKNK2
SCHEMBL29409864 0.92 LRRK2 (0.54) LRRK2ALKINSRIGF1RPTK2
SCHEMBL22658452 0.92 LRRK2 (0.54) LRRK2ALKINSRIGF1RPTK2
SCHEMBL22658873 0.92 LRRK2 (0.65) LRRK2ALKINSRIGF1RPTK2
SCHEMBL22658727 0.92 LRRK2 (0.54) LRRK2ALKINSRIGF1RPTK2
SCHEMBL29409914 0.92 LRRK2 (0.54) LRRK2ALKINSRIGF1RPTK2
SCHEMBL29409917 0.92 LRRK2 (0.65) LRRK2ALKINSRIGF1RPTK2
SCHEMBL22658732 0.91 LRRK2 (0.55) LRRK2ALKINSRIGF1RPTK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204515-A1 PYRROLOPYRIMIDINE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-30 — — 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 (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-20220204515-A1 PYRROLOPYRIMIDINE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 LRRK2, PARK7, PINK1 LRRK2 1/4885ALK 4233/4885INSR 4497/4885

“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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