SCHEMBL1504404

SCHEMBL1504404

CC(C)(C)C(=O)OCn1ccc2c(-c3cnn(C(CC#N)CC4CC4)c3)cnnc21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.32
PRKCA P17252 1/20 0.30
PRKCE Q02156 1/20 0.30
RASGRP3 Q8IV61 1/20 0.30

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
SCHEMBL1504337 0.97 JAK1 (0.34) JAK1
SCHEMBL1504694 0.97 JAK1 (0.34) JAK1
SCHEMBL1504424 0.96 JAK1 (0.34) JAK1
SCHEMBL1504366 0.88 JAK1 (0.42) JAK1PRKCAPRKCE
SCHEMBL1504384 0.86 JAK1 (0.46) JAK1PRKCAPRKCE
SCHEMBL1504602 0.86 JAK1 (0.44) JAK1PRKCAPRKCE
SCHEMBL1504476 0.86 JAK1 (0.46) JAK1PRKCAPRKCE
SCHEMBL1504382 0.86 JAK1 (0.46) JAK1PRKCAPRKCE
SCHEMBL1504618 0.85 JAK1 (0.46) JAK1PRKCAPRKCE
SCHEMBL1504570 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470537-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-07-04 EP disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 JAK1 2/4885PRKCA 112/4885PRKCE 181/4885

“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.