SCHEMBL15032658

SCHEMBL15032658

COc1ccccc1-c1c[nH]c2ncnc(-c3cccc(C(=O)N(C)C)c3)c12

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.69
JAK2 O60674 3/20 0.69
LRRK2 Q5S007 7/20 0.57
ABL1 P00519 1/20 0.56
MAP4K1 Q92918 1/20 0.51
STK4 Q13043 1/20 0.48
STK3 Q13188 1/20 0.48
LIMK1 P53667 2/20 0.46
ROCK2 O75116 1/20 0.46
LIMK2 P53671 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
SCHEMBL2112267 0.83 ABL1 (0.60) JAK3JAK2LRRK2ABL1MAP4K1
SCHEMBL2600528 0.83 ABL1 (0.60) JAK3JAK2LRRK2ABL1MAP4K1
SCHEMBL15032655 0.83 JAK3 (0.78) JAK3JAK2LRRK2STK4STK3
SCHEMBL15032654 0.83 JAK3 (1.00) JAK3JAK2LRRK2STK4STK3
SCHEMBL2600541 0.82 ABL1 (0.59) JAK3JAK2LRRK2ABL1MAP4K1
SCHEMBL2112147 0.82 ABL1 (0.59) JAK3JAK2LRRK2ABL1MAP4K1
SCHEMBL2600524 0.81 ABL1 (0.58) JAK3JAK2LRRK2ABL1MAP4K1
SCHEMBL2600527 0.80 ABL1 (0.57) JAK3JAK2LRRK2ABL1MAP4K1
SCHEMBL2600568 0.80 ABL1 (0.57) JAK3JAK2LRRK2ABL1MAP4K1
SCHEMBL12762943 0.80 ABL1 (0.82) JAK3ABL1MAP4K1STK3LIMK1

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.