SCHEMBL14739232

SCHEMBL14739232

Cn1nc2ccsc2c1I

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AXL P30530 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
PDE7A Q13946 3/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
PDPK1 O15530 1/20 0.32
PARP1 P09874 1/20 0.32
HTT P42858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 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
SCHEMBL14332590 0.78 MEN1 (0.35) MEN1KMT2AAXLMKNK1MKNK2
SCHEMBL24188635 0.73 ADORA2A (0.36) MEN1KMT2AAXLMKNK1MKNK2
SCHEMBL14737613 0.68 NTRK1 (0.35)
SCHEMBL24322356 0.63 PDPK1 (0.36) PDPK1PKMSMN1; SMN2
SCHEMBL12303981 0.61 ADORA2A (0.42) ADORA2AALDH1A1SMN1; SMN2
SCHEMBL19661007 0.60 ADORA2A (0.46) AXLMKNK1MKNK2ADORA2AADORA1
SCHEMBL23937792 0.60 FEN1 (0.37)
SCHEMBL20783852 0.60 RAB9A (0.41) AXLMKNK1MKNK2ADORA2AADORA1
SCHEMBL12926044 0.59 SMN1; SMN2 (0.46) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL2667285 0.59 PDPK1 (0.42) MEN1KMT2AAXLMKNK1MKNK2

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
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 MEN1 3956/4885KMT2A 1627/4885AXL 338/4885

“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.