SCHEMBL16245166

SCHEMBL16245166

C=C(C)C(=O)Nc1cccc(-c2nc(CC)nc3[nH]cc(C(=O)O)c23)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.58
JAK1 P23458 1/20 0.58
JAK2 O60674 1/20 0.49

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
SCHEMBL20184402 0.91 JAK3 (0.59) JAK3JAK1JAK2
SCHEMBL20184685 0.91 JAK3 (0.59) JAK3JAK1JAK2
SCHEMBL20184424 0.91 JAK3 (0.59) JAK3JAK1JAK2
SCHEMBL20184584 0.91 JAK3 (0.59) JAK3JAK1JAK2
SCHEMBL16245240 0.91 JAK3 (0.59) JAK3JAK1JAK2
SCHEMBL16245430 0.90 JAK3 (0.60) JAK3JAK1JAK2
SCHEMBL20184542 0.90 JAK3 (0.48) JAK3JAK1JAK2
SCHEMBL16245379 0.88 JAK3 (0.49) JAK3JAK1JAK2
SCHEMBL20184442 0.88 JAK3 (0.62) JAK3JAK1JAK2
SCHEMBL20184552 0.88 JAK3 (0.51) JAK3JAK1JAK2

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 4 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
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-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS MERCK SHARP & DOHME CORP. (US) 2014-11-27 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 (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 1/4885JAK1 2/4885JAK2 3/4885

“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.