SCHEMBL19010789

SCHEMBL19010789

CNC(=O)C(C)n1cc(N)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
INSR P06213 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
LYN P07948 1/20 0.41
RET P07949 1/20 0.41
MET P08581 1/20 0.41
ROS1 P08922 1/20 0.41
KIT P10721 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
FLT1 P17948 1/20 0.41
FGFR3 P22607 1/20 0.41
RPS6KB1 P23443 1/20 0.41

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
SCHEMBL28052469 0.85 ACHE (0.34) PLK4AURKAROCK2MAP4K4ABL1
SCHEMBL19020973 0.81 SYK (0.39) SMN1; SMN2ACHEADORA2AADORA1
SCHEMBL15650220 0.81 ALDH1A1 (0.40) ACHEADORA2AADORA1
SCHEMBL16051035 0.80 ACHE (0.35) RXFP1SMN1; SMN2ACHENPC1RAB9A
SCHEMBL31361717 0.80 ACHE (0.35) RXFP1SMN1; SMN2ACHENPC1RAB9A
SCHEMBL31361696 0.80 ACHE (0.35) RXFP1SMN1; SMN2ACHENPC1RAB9A
SCHEMBL17076750 0.77 CCNC (0.46) PLK4AURKAROCK2MAP4K4ABL1
SCHEMBL15651339 0.77 CCNC (0.46) PLK4AURKAROCK2MAP4K4ABL1
SCHEMBL28052582 0.76 ADA (0.41) ITKSMN1; SMN2LMNA
SCHEMBL22648680 0.74 ADORA3 (0.39) SMN1; SMN2ACHELMNANPC1RAB9A

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 PLK4 81/4885AURKA 893/4885ROCK2 342/4885
US-20170174694-A1 PYRROLOPYRIMIDINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF LRRK2, PRKDC, DAPK2 PLK4 81/4885AURKA 893/4885ROCK2 342/4885
US-10023579-B2 Pyrrolopyrimidine compounds, use as inhibitors of the kinase LRRK2, and methods for preparation thereof LRRK2, PRKDC, DAPK2 PLK4 81/4885AURKA 893/4885ROCK2 342/4885

“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.