SCHEMBL15032653

SCHEMBL15032653

c1ccc(Oc2cccc(-c3c[nH]c4ncnc(-c5ccccc5)c34)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.57
JAK2 O60674 6/20 0.57
ERBB2 P04626 1/20 0.50
LRRK2 Q5S007 5/20 0.49
STK3 Q13188 5/20 0.49
STK4 Q13043 2/20 0.49
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PRKDC P78527 1/20 0.46
PRKD3 O94806 3/20 0.45
MAP4K4 O95819 3/20 0.45
PRKACA P17612 3/20 0.45
CLK2 P49760 3/20 0.45
GSK3A P49840 3/20 0.45
GSK3B P49841 3/20 0.45
CDK5 Q00535 3/20 0.45
MAP4K2 Q12851 3/20 0.45
ROCK1 Q13464 3/20 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
SCHEMBL15032857 0.89 JAK3 (0.66) JAK3JAK2LRRK2STK3STK4
SCHEMBL15032652 0.85 JAK3 (0.63) JAK3JAK2LRRK2STK3STK4
SCHEMBL15032863 0.83 JAK3 (0.68) JAK3JAK2LRRK2STK3STK4
SCHEMBL16245402 0.82 JAK3 (0.75) JAK3JAK2LRRK2STK3STK4
SCHEMBL15032655 0.75 JAK3 (0.78) JAK3JAK2LRRK2STK3STK4
SCHEMBL29552165 0.75 NUDT14 (0.55) LRRK2STK3PIK3CDPIK3CAPIK3CB
SCHEMBL410257 0.75 NUDT14 (0.55) LRRK2STK3PIK3CDPIK3CAPIK3CB
Bromide SCHEMBL6865619 0.74 NUDT14 (0.54) LRRK2STK3PIK3CDPIK3CAPIK3CB
SCHEMBL31612016 0.74 CDC7 (0.50) JAK3JAK2ERBB2LRRK2STK3
SCHEMBL4352664 0.73 PIK3CG (0.61) JAK3JAK2ERBB2LRRK2STK3

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 3/4885ERBB2 84/4885

“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.