SCHEMBL12372626

SCHEMBL12372626

CC1(C)CCN(c2cccc(-c3cnc4[nH]cc(I)c4n3)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.37
MAP4K1 Q92918 2/20 0.37
MAPK1 P28482 6/20 0.37
ATR Q13535 1/20 0.36
LRRK2 Q5S007 1/20 0.36
SYK P43405 3/20 0.35
JAK2 O60674 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
KARS1 Q15046 1/20 0.34
KIT P10721 1/20 0.34
STK4 Q13043 1/20 0.33
STK3 Q13188 1/20 0.33
JAK3 P52333 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL2274335 0.85 SYK (0.41) PRKCIMAPK1ATRSYKJAK2
SCHEMBL2282175 0.83 JAK3 (0.51) PRKCISYKJAK3CYP2D6
SCHEMBL2278920 0.82 SYK (0.50) SYKCYP2D6
SCHEMBL2275385 0.82 SYK (0.55) SYKJAK2JAK3
SCHEMBL2277835 0.81 ATR (0.49) PRKCIATRSYKJAK2JAK3
SCHEMBL2280377 0.81 JAK3 (0.40) PRKCISYKJAK2JAK3CYP2D6
SCHEMBL12372627 0.80 MAPK1 (0.51) PRKCIMAPK1ATRJAK2JAK3
SCHEMBL3399102 0.80 JAK3 (0.36) PRKCIMAP4K1MAPK1ATRLRRK2
SCHEMBL2279128 0.79 SYK (0.51) SYKJAK3CYP2D6
SCHEMBL2341691 0.79 SYK (0.43) PRKCIMAP4K1SYKJAK2JAK3

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
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
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 PRKCI 206/4885MAP4K1 462/4885MAPK1 386/4885

“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.