SCHEMBL19010671

SCHEMBL19010671

CNc1nc(NC(C)C)c2cc[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.40
AURKA O14965 2/20 0.40
ABL1 P00519 2/20 0.40
NTRK1 P04629 2/20 0.40
RET P07949 2/20 0.40
FGFR1 P11362 2/20 0.40
KDR P35968 2/20 0.40
JAK3 P52333 2/20 0.40
ALK Q9UM73 2/20 0.40
FGR P09769 1/20 0.40
CSNK2A2 P19784 1/20 0.40
FLT4 P35916 1/20 0.40
FLT3 P36888 1/20 0.40
LIMK1 P53667 1/20 0.40
SIK1 P57059 1/20 0.40
PRKCZ Q05513 1/20 0.40
TTK P33981 2/20 0.37
TLR7 Q9NYK1 1/20 0.37
PTK2 Q05397 2/20 0.37
APP P05067 1/20 0.36

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
SCHEMBL19010659 0.84 TRIM58 (0.42) JAK2AURKAABL1NTRK1RET
SCHEMBL19010691 0.83 IDH2 (0.47) JAK2AURKAABL1NTRK1RET
SCHEMBL19010842 0.83 CCNE2 (0.47)
SCHEMBL19010674 0.83 IDH2 (0.47) JAK2AURKAABL1NTRK1RET
SCHEMBL19010672 0.83 IDH2 (0.47) JAK2AURKAABL1NTRK1RET
SCHEMBL19010711 0.82 JAK3 (0.43) JAK2AURKAABL1NTRK1RET
SCHEMBL19010709 0.82 JAK3 (0.43) JAK2AURKAABL1NTRK1RET
SCHEMBL19010708 0.82 JAK3 (0.43) JAK2AURKAABL1NTRK1RET
SCHEMBL10169192 0.81 LRRK2 (0.44) JAK2AURKAABL1NTRK1RET
SCHEMBL14547925 0.81 PAK4 (0.57) TTKPTK2JAK1PAK4IRAK4

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 JAK2 234/4885AURKA 893/4885ABL1 591/4885
US-10023579-B2 Pyrrolopyrimidine compounds, use as inhibitors of the kinase LRRK2, and methods for preparation thereof LRRK2, PRKDC, DAPK2 JAK2 234/4885AURKA 893/4885ABL1 591/4885

“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.