SCHEMBL2377800

SCHEMBL2377800

COC(=O)C(NC(=O)Nc1cnc2[nH]ccc2n1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.51
JAK3 P52333 10/20 0.51
JAK1 P23458 8/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.45
THRB P10828 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2377794 1.00 JAK2 (0.51) JAK2JAK3JAK1SMN1; SMN2MEN1
SCHEMBL2378094 0.86 JAK3 (0.51) JAK2JAK3JAK1MAPK1
SCHEMBL2378104 0.86 JAK3 (0.51) JAK2JAK3JAK1MAPK1
SCHEMBL2377302 0.84 JAK3 (0.62) JAK2JAK3JAK1MAPK1
SCHEMBL2379045 0.78 MAPK1 (0.53) JAK2JAK3JAK1MAPK1
SCHEMBL2377806 0.78 MAPK1 (0.53) JAK2JAK3JAK1MAPK1
SCHEMBL27855943 0.78 MAPK1 (0.53) JAK2JAK3JAK1MAPK1
SCHEMBL12296758 0.77 JAK3 (0.62) JAK2JAK3JAK1MAPK1
SCHEMBL27838196 0.74 JAK2 (0.48) JAK2JAK3JAK1MAPK1
SCHEMBL27838120 0.74 JAK2 (0.48) JAK2JAK3JAK1MAPK1

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
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-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 JAK2 5/4885JAK3 2/4885JAK1 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.