SCHEMBL12372232

SCHEMBL12372232

COC1CCN(c2cccc(-c3ccc4[nH]cc(C(=O)NC(C)(C)C)c4c3)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.44
PRKAB2 O43741 2/20 0.40
PRKAG1 P54619 2/20 0.40
PRKAA2 P54646 2/20 0.40
PRKAA1 Q13131 2/20 0.40
PRKAG3 Q9UGI9 2/20 0.40
PRKAG2 Q9UGJ0 2/20 0.40
PRKAB1 Q9Y478 2/20 0.40
WNT1 P04628 1/20 0.39
DYRK1A Q13627 1/20 0.39
ROCK2 O75116 1/20 0.39
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
USP30 Q70CQ3 4/20 0.38
MDM4 O15151 1/20 0.38
ACHE P22303 1/20 0.38
HTR4 Q13639 4/20 0.38
KDM4E B2RXH2 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
SCHEMBL12372233 0.84 NR4A2 (0.41) NR4A2ROCK2HTR1AHTR2AHTR2C
SCHEMBL2275136 0.80 JAK3 (0.49)
SCHEMBL1892513 0.71 JAK3 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2362648 0.71 JAK3 (0.36)
SCHEMBL3061667 0.70 PRKAB2 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL25015826 0.64 NOTUM (0.57) USP30ALDH1A1MAPTACACB
SCHEMBL18929109 0.64 ADRA2C (0.50) USP30KDM4EALDH1A1MAPTACACB
SCHEMBL31083673 0.63 NR4A2 (1.00) NR4A2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL25405774 0.63 NR4A2 (1.00) NR4A2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2274966 0.63 JAK3 (0.52)

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-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
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
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 NR4A2 2953/4885PRKAB2 1035/4885PRKAG1 819/4885

“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.