SCHEMBL19010663

SCHEMBL19010663

Cc1cc(Nc2nc(N[C@@H]3CCc4ccccc43)c3cc[nH]c3n2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.49
PAK4 O96013 8/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
PLK4 O00444 4/20 0.42
AURKA O14965 1/20 0.42
SRC P12931 1/20 0.42
GSK3B P49841 1/20 0.42
CDK1 P06493 2/20 0.41
EGFR P00533 1/20 0.39
GBA1 P04062 1/20 0.38
MAP4K1 Q92918 1/20 0.38
NTRK1 P04629 1/20 0.38
ADORA1 P30542 1/20 0.37

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
SCHEMBL18984841 1.00 IGF1R (0.49) IGF1RPAK4IRAK4PLK4AURKA
SCHEMBL18984843 1.00 IGF1R (0.49) IGF1RPAK4IRAK4PLK4AURKA
SCHEMBL18984818 0.83 PAK4 (0.43) IGF1RPAK4IRAK4CDK1EGFR
SCHEMBL19010661 0.83 PAK4 (0.43) IGF1RPAK4IRAK4CDK1EGFR
SCHEMBL18984817 0.83 PAK4 (0.43) IGF1RPAK4IRAK4CDK1EGFR
SCHEMBL19010669 0.82 PDPK1 (0.46) IGF1RPAK4IRAK4AURKACDK1
SCHEMBL19010664 0.82 PDPK1 (0.46) IGF1RPAK4IRAK4AURKACDK1
SCHEMBL19010660 0.82 PDPK1 (0.46) IGF1RPAK4IRAK4AURKACDK1
SCHEMBL19010666 0.81 PAK4 (0.42) IGF1RPAK4IRAK4CDK1EGFR
SCHEMBL18984927 0.81 PAK4 (0.42) IGF1RPAK4IRAK4CDK1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294235-B2 Pyrrolopyrimidine compounds, use as inhibitors of the kinase LRRK2, and methods for preparation thereof SOUTHERN RESEARCH INSTITUTE (US) 2019-05-21 US disclosed
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-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
WO-2017106771-A1 PYRROLOPYRIMIDINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2017-06-22 WO 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-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 (3 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-10294235-B2 Pyrrolopyrimidine compounds, use as inhibitors of the kinase LRRK2, and methods for preparation thereof LRRK2, PRKDC, DAPK2 IGF1R 1252/4885PAK4 126/4885IRAK4 164/4885
US-20170174694-A1 PYRROLOPYRIMIDINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF LRRK2, PRKDC, DAPK2 IGF1R 1252/4885PAK4 126/4885IRAK4 164/4885
US-10023579-B2 Pyrrolopyrimidine compounds, use as inhibitors of the kinase LRRK2, and methods for preparation thereof LRRK2, PRKDC, DAPK2 IGF1R 1252/4885PAK4 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.