SCHEMBL19010862

SCHEMBL19010862

CC(Nc1nc(Cl)nc2c1ncn2C1CCCCO1)C1CC1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.73
▸ ADORA3 P0DMS8 12/20 0.59
▸ ADORA1 P30542 12/20 0.59
▸ ADORA2A P29274 7/20 0.48
▸ HTR2C P28335 3/20 0.47
▸ HTR2B P41595 3/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ FLT3 P36888 2/20 0.47
▸ TMIGD3 P0DMS9 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ADRA2A P08913 1/20 0.45
▸ TSPO P30536 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
SCHEMBL17902901 0.91 YTHDC1 (0.79) YTHDC1ADORA3ADORA1ADORA2AHTR2C
SCHEMBL29664968 0.88 YTHDC1 (0.67) YTHDC1ADORA3ADORA1ADORA2AHTR2C
SCHEMBL20533808 0.88 YTHDC1 (0.67) YTHDC1ADORA3ADORA1ADORA2AHTR2C
SCHEMBL19010863 0.87 YTHDC1 (0.60) YTHDC1ADORA3ADORA1ADORA2AFLT3
SCHEMBL4649311 0.87 YTHDC1 (0.72) YTHDC1ADORA3ADORA1ADORA2AHTR2C
SCHEMBL7265803 0.85 YTHDC1 (0.73) YTHDC1ADORA3ADORA1ADORA2AHTR2C
SCHEMBL19049986 0.85 YTHDC1 (1.00) YTHDC1ADORA3ADORA1ADORA2AHTR2C
SCHEMBL1713275 0.82 YTHDC1 (0.79) YTHDC1ADORA3ADORA1ADORA2AFLT3
SCHEMBL28433352 0.82 YTHDC1 (0.74) YTHDC1ADORA3ADORA1FLT3CYP2C19
SCHEMBL5442351 0.82 YTHDC1 (0.78) YTHDC1ADORA3ADORA1ADORA2AFLT3

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 5 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
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 YTHDC1 3934/4885ADORA3 3325/4885ADORA1 3976/4885
US-20170174694-A1 PYRROLOPYRIMIDINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF LRRK2, PRKDC, DAPK2 YTHDC1 3934/4885ADORA3 3325/4885ADORA1 3976/4885
US-10023579-B2 Pyrrolopyrimidine compounds, use as inhibitors of the kinase LRRK2, and methods for preparation thereof LRRK2, PRKDC, DAPK2 YTHDC1 3934/4885ADORA3 3325/4885ADORA1 3976/4885

“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.

Send feedback