SCHEMBL19010673

SCHEMBL19010673

C[C@@H](Nc1nc(Nc2cnn(C)c2)nc2[nH]ccc12)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 5/20 0.58
JAK3 P52333 8/20 0.54
BTK Q06187 7/20 0.54
EGFR P00533 4/20 0.53
TTK P33981 2/20 0.43
AURKA O14965 1/20 0.43
JAK2 O60674 1/20 0.43
ABL1 P00519 1/20 0.43
NTRK1 P04629 1/20 0.43
RET P07949 1/20 0.43
FGR P09769 1/20 0.43
FGFR1 P11362 1/20 0.43
CSNK2A2 P19784 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
LIMK1 P53667 1/20 0.43
SIK1 P57059 1/20 0.43
PRKCZ Q05513 1/20 0.43
ALK Q9UM73 1/20 0.43

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
SCHEMBL18984838 1.00 PTK2 (0.58) PTK2JAK3BTKEGFRTTK
SCHEMBL18984840 1.00 PTK2 (0.58) PTK2JAK3BTKEGFRTTK
SCHEMBL19010715 0.90 JAK3 (0.48) PTK2JAK3BTKEGFR
SCHEMBL19010716 0.88 JAK3 (0.57) PTK2JAK3BTK
SCHEMBL20568062 0.88 JAK3 (0.57) PTK2JAK3BTK
SCHEMBL18984860 0.88 PTK2 (0.55) PTK2JAK3BTKEGFR
SCHEMBL18984858 0.88 PTK2 (0.55) PTK2JAK3BTKEGFR
SCHEMBL18984885 0.87 PTK2 (0.53) PTK2JAK3BTKEGFRFLT3
SCHEMBL18984888 0.87 PTK2 (0.53) PTK2JAK3BTKEGFRFLT3
SCHEMBL19020991 0.86 PTK2 (0.49) PTK2JAK3BTK

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 PTK2 215/4885JAK3 397/4885BTK 299/4885
US-20170174694-A1 PYRROLOPYRIMIDINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF LRRK2, PRKDC, DAPK2 PTK2 215/4885JAK3 397/4885BTK 299/4885
US-10023579-B2 Pyrrolopyrimidine compounds, use as inhibitors of the kinase LRRK2, and methods for preparation thereof LRRK2, PRKDC, DAPK2 PTK2 215/4885JAK3 397/4885BTK 299/4885

“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.