SCHEMBL19010674

SCHEMBL19010674

CNc1nc(N[C@H](C)C2CC2)c2cc[nH]c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 3/20 0.47
PAK4 O96013 3/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
SOS1 Q07889 2/20 0.39
JAK2 O60674 2/20 0.38
AURKA O14965 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
RET P07949 1/20 0.38
FGR P09769 1/20 0.38
FGFR1 P11362 1/20 0.38
CSNK2A2 P19784 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
JAK3 P52333 1/20 0.38
LIMK1 P53667 1/20 0.38
SIK1 P57059 1/20 0.38
PRKCZ Q05513 1/20 0.38
ALK Q9UM73 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
SCHEMBL19010672 1.00 IDH2 (0.47) IDH2PAK4IRAK4SOS1JAK2
SCHEMBL19010691 1.00 IDH2 (0.47) IDH2PAK4IRAK4SOS1JAK2
SCHEMBL19010708 0.94 JAK3 (0.43) IDH2PAK4IRAK4JAK2AURKA
SCHEMBL19010711 0.94 JAK3 (0.43) IDH2PAK4IRAK4JAK2AURKA
SCHEMBL19010709 0.94 JAK3 (0.43) IDH2PAK4IRAK4JAK2AURKA
SCHEMBL19010671 0.83 JAK2 (0.40) PAK4IRAK4JAK2AURKAABL1
SCHEMBL19020593 0.80 IDH2 (0.40) IDH2PAK4IRAK4SOS1JAK2
SCHEMBL19010673 0.79 PTK2 (0.58) JAK2AURKAABL1NTRK1RET
SCHEMBL18984803 0.79 IDH2 (0.42) IDH2PAK4IRAK4SOS1JAK2
SCHEMBL21013147 0.79 JAK3 (0.43) IDH2PAK4IRAK4SOS1JAK2

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 2 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

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 IDH2 1485/4885PAK4 126/4885IRAK4 164/4885
US-10023579-B2 Pyrrolopyrimidine compounds, use as inhibitors of the kinase LRRK2, and methods for preparation thereof LRRK2, PRKDC, DAPK2 IDH2 1485/4885PAK4 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.