SCHEMBL12401710

SCHEMBL12401710

C=C(C)C(=O)c1c[nH]c2ncc(-c3cccc(CN4CCC(NC(=O)OC(C)(C)C)C4)c3)nc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.41
DRD4 P21917 6/20 0.41
SCN9A Q15858 1/20 0.41
ROCK2 O75116 1/20 0.40
HTR2A P28223 2/20 0.39
JAK1 P23458 5/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
JAK2 O60674 3/20 0.39
PARP1 P09874 1/20 0.39
JAK3 P52333 2/20 0.38
TYK2 P29597 1/20 0.38
NPY5R Q15761 3/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL2274879 0.91 JAK3 (0.47) DRD2DRD4SCN9AROCK2HTR2A
SCHEMBL13689489 0.84 JAK3 (0.48) DRD2DRD4HTR2AJAK1JAK2
SCHEMBL12402508 0.84 PRKACA (0.45) DRD2DRD4JAK1JAK2PARP1
SCHEMBL12402545 0.82 HSP90AA1 (0.40) JAK1JAK2JAK3MCHR1
SCHEMBL2275248 0.80 JAK3 (0.50) DRD2DRD4HTR2AJAK1JAK2
SCHEMBL12402511 0.78 JAK3 (0.50) DRD2DRD4HTR2AJAK1JAK2
SCHEMBL2275838 0.77 JAK3 (0.48) DRD2DRD4ROCK2JAK1JAK2
SCHEMBL2280391 0.76 JAK3 (0.51) ROCK2JAK1JAK2JAK3TYK2
SCHEMBL12402506 0.76 HSP90AA1 (0.42) JAK3MCHR1
SCHEMBL2277617 0.76 JAK3 (0.49) JAK1JAK2JAK3TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 DRD2 3196/4885DRD4 3704/4885SCN9A 4333/4885

“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.