SCHEMBL19010669

SCHEMBL19010669

CNc1nc(N[C@H]2CCc3ccccc32)c2cc[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.46
PAK4 O96013 3/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
GBA1 P04062 1/20 0.43
ADORA1 P30542 2/20 0.43
CDK1 P06493 2/20 0.43
EGFR P00533 1/20 0.43
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
IGF1R P08069 1/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
TYRO3 Q06418 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
FADS1 O60427 1/20 0.38

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
SCHEMBL19010664 1.00 PDPK1 (0.46) PDPK1PAK4IRAK4GBA1ADORA1
SCHEMBL19010660 1.00 PDPK1 (0.46) PDPK1PAK4IRAK4GBA1ADORA1
SCHEMBL19010748 0.83 FADS1 (0.45) PDPK1PAK4GBA1ADORA1CDK1
SCHEMBL18984841 0.82 IGF1R (0.49) PAK4IRAK4GBA1ADORA1CDK1
SCHEMBL18984843 0.82 IGF1R (0.49) PAK4IRAK4GBA1ADORA1CDK1
SCHEMBL19010663 0.82 IGF1R (0.49) PAK4IRAK4GBA1ADORA1CDK1
SCHEMBL18984818 0.82 PAK4 (0.43) PAK4IRAK4GBA1ADORA1CDK1
SCHEMBL18984817 0.82 PAK4 (0.43) PAK4IRAK4GBA1ADORA1CDK1
SCHEMBL19010661 0.82 PAK4 (0.43) PAK4IRAK4GBA1ADORA1CDK1
SCHEMBL18984826 0.82 PTK2 (0.55) PAK4IRAK4CDK1EGFR

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-10023579-B2 Pyrrolopyrimidine compounds, use as inhibitors of the kinase LRRK2, and methods for preparation thereof SOUTHERN RESEARCH INSTITUTE (US) 2018-07-17 US disclosed
US-20170174694-A1 PYRROLOPYRIMIDINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF SOUTHERN RESEARCH INSTITUTE 2017-06-22 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 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-20170174694-A1 PYRROLOPYRIMIDINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF LRRK2, PRKDC, DAPK2 PDPK1 7/4885PAK4 126/4885IRAK4 164/4885
US-10023579-B2 Pyrrolopyrimidine compounds, use as inhibitors of the kinase LRRK2, and methods for preparation thereof LRRK2, PRKDC, DAPK2 PDPK1 7/4885PAK4 126/4885IRAK4 164/4885

“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.