SCHEMBL2379731

SCHEMBL2379731

CNC(=O)CNC(=O)Nc1cnc2[nH]ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.54
JAK2 O60674 12/20 0.54
JAK1 P23458 8/20 0.54
PRMT3 O60678 1/20 0.44
MAPK1 P28482 3/20 0.42
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL12296758 0.85 JAK3 (0.62) JAK3JAK2JAK1MAPK1
SCHEMBL2376301 0.84 JAK2 (0.58) JAK3JAK2JAK1MAPK1
SCHEMBL2379317 0.82 JAK2 (0.51) JAK3JAK2JAK1ALDH1A1
SCHEMBL27838160 0.80 CDK8 (0.54) JAK3JAK2JAK1MAPK1
SCHEMBL2377622 0.78 JAK2 (0.54) JAK3JAK2JAK1MAPK1
SCHEMBL12245475 0.77 KDM4E (0.59) JAK3JAK2JAK1MAPK1
SCHEMBL2378448 0.76 JAK3 (0.58) JAK3JAK2JAK1MAPK1ALDH1A1
SCHEMBL2377302 0.76 JAK3 (0.62) JAK3JAK2JAK1MAPK1
SCHEMBL2378478 0.76 JAK2 (0.52) JAK3JAK2JAK1PRMT3MAPK1
SCHEMBL12970653 0.75 JAK3 (0.59) JAK3JAK2JAK1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US claimed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 US claimed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 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-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 JAK3 2/4885JAK2 5/4885JAK1 1/4885

“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.