SCHEMBL2276323

SCHEMBL2276323

COCOc1cc(N)cc(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
CYP3A4 P08684 2/20 0.32
TP53 P04637 1/20 0.32
SOD1 P00441 1/20 0.32
FYN P06241 3/20 0.31
GRM5 P41594 1/20 0.31
AMD1 P17707 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
Ammonia Solution, Strong SCHEMBL27822532 0.98 ALDH1A1 (0.36) ALDH1A1MAPTCYP3A4TP53SOD1
SCHEMBL25198968 0.86 SOD1 (0.36) ALDH1A1CYP3A4SOD1GRM5
SCHEMBL309108 0.86 SOD1 (0.40) CYP3A4SOD1GRM5
SCHEMBL30935166 0.83 ALDH1A1 (0.36) ALDH1A1MAPTCYP3A4TP53KDM4E
SCHEMBL30345364 0.80 TP53 (0.52) ALDH1A1MAPTCYP3A4TP53KDM4E
SCHEMBL6251418 0.80 TP53 (0.52) ALDH1A1MAPTCYP3A4TP53KDM4E
SCHEMBL378876 0.77 ALDH1A1 (0.46) ALDH1A1MAPTCYP3A4GAA
SCHEMBL15613777 0.77 MAOB (0.34) SOD1GRM5
SCHEMBL31225986 0.77 MAPT (0.39) MAPTSOD1GRM5
SCHEMBL13689573 0.77 SOD1 (0.32) SOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
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-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
CN-101952295-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2011-01-19 CN disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP 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
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 ALDH1A1 4082/4885MAPT 3747/4885CYP3A4 2784/4885

“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.