SCHEMBL15032863

SCHEMBL15032863

c1ccc(-c2c[nH]c3ncnc(-c4ccccc4)c23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.68
JAK2 O60674 8/20 0.68
LRRK2 Q5S007 6/20 0.63
PRKACA P17612 6/20 0.60
GSK3B P49841 6/20 0.60
GSK3A P49840 5/20 0.60
CDK5 Q00535 5/20 0.60
ROCK1 Q13464 5/20 0.60
DYRK1A Q13627 5/20 0.60
MAP4K4 O95819 5/20 0.60
PRKD3 O94806 4/20 0.60
CLK2 P49760 4/20 0.60
MAP4K2 Q12851 4/20 0.60
NTRK1 P04629 4/20 0.60
CLK4 Q9HAZ1 4/20 0.60
TAOK1 Q7L7X3 3/20 0.60
NTRK3 Q16288 3/20 0.60
NTRK2 Q16620 3/20 0.60
PAK4 O96013 3/20 0.60
CDK8 P49336 2/20 0.60

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
SCHEMBL15032653 0.83 JAK3 (0.57) JAK3JAK2LRRK2PRKACAGSK3B
SCHEMBL7021288 0.83 LRRK2 (0.63) JAK3JAK2LRRK2PRKACAGSK3B
SCHEMBL15032857 0.82 JAK3 (0.66) JAK3JAK2LRRK2PRKACAGSK3B
SCHEMBL15010414 0.81 JAK2 (0.55) JAK3JAK2LRRK2PRKACAGSK3B
SCHEMBL4007170 0.81 JAK2 (0.55) JAK3JAK2LRRK2PRKACAGSK3B
SCHEMBL20195296 0.81 LIMK1 (0.69) JAK3JAK2LRRK2PRKACAGSK3B
SCHEMBL3226104 0.81 LRRK2 (0.61) JAK3JAK2LRRK2PRKACAGSK3B
SCHEMBL29378308 0.81 LRRK2 (0.61) JAK3JAK2LRRK2PRKACAGSK3B
SCHEMBL15032654 0.81 JAK3 (1.00) JAK3JAK2LRRK2PRKACAGSK3B
SCHEMBL16245402 0.80 JAK3 (0.75) JAK3JAK2LRRK2PRKACAGSK3B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 EP claimed
US-8993756-B2 Pyrrolopyrimidines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-31 US claimed
US-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS MERCK SHARP & DOHME CORP. (US) 2014-11-27 US claimed
EP-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 EP disclosed
EP-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 EP disclosed
US-8993756-B2 Pyrrolopyrimidines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-8993756-B2 Pyrrolopyrimidines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-8993756-B2 Pyrrolopyrimidines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS MERCK SHARP & DOHME CORP. (US) 2014-11-27 US disclosed
US-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS MERCK SHARP & DOHME CORP. (US) 2014-11-27 US disclosed
US-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS MERCK SHARP & DOHME CORP. (US) 2014-11-27 US disclosed
WO-2013085802-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 WO 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 (1 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-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS JAK3, JAK1, JAK2 JAK3 1/4885JAK2 3/4885LRRK2 2468/4885

“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.