SCHEMBL19010666

SCHEMBL19010666

Cc1cc(Nc2nc(N[C@@H]3CCc4ccccc43)c3cc[nH]c3n2)n(C)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 4/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
PTK2 Q05397 1/20 0.41
CDK1 P06493 2/20 0.40
MAP4K1 Q92918 6/20 0.40
JAK3 P52333 1/20 0.38
BTK Q06187 1/20 0.38
INSR P06213 1/20 0.38
NPM1 P06748 1/20 0.38
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALK Q9UM73 1/20 0.38
EGFR P00533 1/20 0.38
IGF1R P08069 1/20 0.38
JAK2 O60674 1/20 0.37
BRD4 O60885 1/20 0.37
GBA1 P04062 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
SCHEMBL18984918 1.00 PAK4 (0.42) PAK4IRAK4PTK2CDK1MAP4K1
SCHEMBL18984927 1.00 PAK4 (0.42) PAK4IRAK4PTK2CDK1MAP4K1
SCHEMBL19010735 0.81 PAK4 (0.42) PAK4IRAK4CDK1MAP4K1INSR
SCHEMBL18984841 0.81 IGF1R (0.49) PAK4IRAK4CDK1MAP4K1EGFR
SCHEMBL18984843 0.81 IGF1R (0.49) PAK4IRAK4CDK1MAP4K1EGFR
SCHEMBL18984817 0.81 PAK4 (0.43) PAK4IRAK4PTK2CDK1MAP4K1
SCHEMBL19010663 0.81 IGF1R (0.49) PAK4IRAK4CDK1MAP4K1EGFR
SCHEMBL19010661 0.81 PAK4 (0.43) PAK4IRAK4PTK2CDK1MAP4K1
SCHEMBL18984818 0.81 PAK4 (0.43) PAK4IRAK4PTK2CDK1MAP4K1
SCHEMBL19010669 0.81 PDPK1 (0.46) PAK4IRAK4CDK1EGFRIGF1R

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 6 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

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 PAK4 126/4885IRAK4 164/4885PTK2 215/4885
US-20170174694-A1 PYRROLOPYRIMIDINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF LRRK2, PRKDC, DAPK2 PAK4 126/4885IRAK4 164/4885PTK2 215/4885
US-10023579-B2 Pyrrolopyrimidine compounds, use as inhibitors of the kinase LRRK2, and methods for preparation thereof LRRK2, PRKDC, DAPK2 PAK4 126/4885IRAK4 164/4885PTK2 215/4885

“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.