SCHEMBL2379288

SCHEMBL2379288

Cc1ncc(I)n1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.46
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
EGFR P00533 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CYP1A2 P05177 3/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL13713425 0.79 AVPR1A (0.48) AVPR1AMAPK1HTTMEN1KMT2A
SCHEMBL15989423 0.78 ALDH1A1 (0.46) AVPR1AHTTMEN1KMT2API4KA
Iodide SCHEMBL29040394 0.78 AVPR1A (0.47) AVPR1AMAPK1HTTMEN1KMT2A
SCHEMBL5172846 0.76 PI4KA (0.46) AVPR1AMAPK1HTTMEN1KMT2A
SCHEMBL27997346 0.76 AVPR1A (0.46) AVPR1AMAPK1HTTMEN1KMT2A
SCHEMBL5174895 0.76 CYP1A2 (0.54) AVPR1AMAPK1HTTMEN1KMT2A
SCHEMBL24890358 0.74 AVPR1A (0.58) AVPR1AMAPK1HTTMEN1KMT2A
Methane SCHEMBL27401278 0.74 CYP1A2 (0.53) AVPR1AMAPK1HTTMEN1KMT2A
SCHEMBL19068734 0.73 AVPR1A (0.56) AVPR1AMAPK1HTTMEN1KMT2A
SCHEMBL5374697 0.73 AVPR1A (0.43) AVPR1AMAPK1HTTMEN1KMT2A

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-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
WO-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 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-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK AVPR1A 4730/4885MAPK1 412/4885HTT 3648/4885

“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.