SCHEMBL15032652

SCHEMBL15032652

c1ccc(COc2cccc(-c3c[nH]c4ncnc(-c5ccccc5)c34)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.63
JAK2 O60674 5/20 0.63
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
PRKDC P78527 1/20 0.50
IGF1R P08069 5/20 0.48
LRRK2 Q5S007 3/20 0.47
STK3 Q13188 2/20 0.46
STK4 Q13043 1/20 0.46
DYRK1A Q13627 2/20 0.45
CDC7 O00311 1/20 0.45
PLK4 O00444 1/20 0.45
CHEK1 O14757 1/20 0.45
CHUK O15111 1/20 0.45
PDPK1 O15530 1/20 0.45
DYRK3 O43781 1/20 0.45
ROCK2 O75116 1/20 0.45
PRKD3 O94806 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
SCHEMBL4352664 0.88 PIK3CG (0.61) JAK3JAK2PIK3CDPIK3CAPIK3CB
SCHEMBL15032653 0.85 JAK3 (0.57) JAK3JAK2PIK3CDPIK3CAPIK3CB
SCHEMBL15032857 0.84 JAK3 (0.66) JAK3JAK2LRRK2STK3STK4
SCHEMBL20184690 0.82 JAK3 (0.79) JAK3JAK2PIK3CDPIK3CAPIK3CB
SCHEMBL15032863 0.79 JAK3 (0.68) JAK3JAK2LRRK2STK3STK4
SCHEMBL6634899 0.78 BTK (0.47) JAK3JAK2PIK3CDPIK3CAPIK3CB
SCHEMBL15032782 0.78 JAK3 (1.00) JAK3JAK2
SCHEMBL29836484 0.77 IGF1R (0.47) JAK3JAK2PIK3CDPIK3CAPIK3CB
SCHEMBL21591777 0.77 IGF1R (0.47) JAK3JAK2PIK3CDPIK3CAPIK3CB
SCHEMBL17731204 0.76 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 11 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-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 3/4885PIK3CD 217/4885

“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.