SCHEMBL19020702

SCHEMBL19020702

c1cc2c(NC3CCC3)nc(Nc3cn[nH]c3)nc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 4/20 0.58
▸ IRAK4 Q9NWZ3 1/20 0.54
▸ JAK3 P52333 11/20 0.48
▸ BTK Q06187 9/20 0.48
▸ JAK1 P23458 2/20 0.47
▸ TTK P33981 1/20 0.46
▸ PIK3CB P42338 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ PTK2 Q05397 1/20 0.46
▸ HPGDS O60760 1/20 0.45
▸ JAK2 O60674 1/20 0.45

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
SCHEMBL27930634 0.81 PAK4 (0.64) PAK4IRAK4JAK3BTKTTK
SCHEMBL19027156 0.80 PTK2 (0.42) PAK4IRAK4JAK3JAK1PTK2
SCHEMBL18984923 0.80 BTK (0.70) PAK4IRAK4JAK3BTKPTK2
SCHEMBL14547696 0.80 PAK4 (0.56) PAK4IRAK4JAK3BTKTTK
SCHEMBL12085405 0.79 ULK1 (0.56) PAK4IRAK4JAK3BTK
SCHEMBL12085346 0.79 SYK (0.60) PAK4IRAK4JAK3BTK
SCHEMBL12085351 0.79 PAK4 (0.58) PAK4IRAK4JAK3BTKTTK
SCHEMBL19020275 0.79 PAK4 (0.48) PAK4IRAK4JAK3PTK2
SCHEMBL19020699 0.79 PAK4 (0.48) PAK4IRAK4JAK3PTK2
SCHEMBL19020701 0.79 PAK4 (0.48) PAK4IRAK4JAK3PTK2

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 4 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
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

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 164/4885JAK3 397/4885
US-20170174694-A1 PYRROLOPYRIMIDINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF LRRK2, PRKDC, DAPK2 PAK4 126/4885IRAK4 164/4885JAK3 397/4885
US-10023579-B2 Pyrrolopyrimidine compounds, use as inhibitors of the kinase LRRK2, and methods for preparation thereof LRRK2, PRKDC, DAPK2 PAK4 126/4885IRAK4 164/4885JAK3 397/4885

“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.

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