SCHEMBL14738239

SCHEMBL14738239

Cn1nc(I)c2cc(C#N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
SLC6A4 P31645 2/20 0.36
CACNA1H O95180 1/20 0.35
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
AURKA O14965 1/20 0.34
JAK2 O60674 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
MET P08581 1/20 0.34

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
SCHEMBL31586549 1.00 CASP3 (0.39) CASP3KDM4EALDH1A1GLAGAA
SCHEMBL14737090 0.87 CASP3 (0.37) CASP3CYP11B2CA1CA2G6PD
SCHEMBL29889423 0.81 ADORA2A (0.53) CASP3KDM4EALDH1A1GLAGAA
SCHEMBL13106345 0.81 ADORA2A (0.53) CASP3KDM4EALDH1A1GLAGAA
SCHEMBL15792267 0.80 PRKDC (0.42) CASP3KDM4EALDH1A1GLAGAA
SCHEMBL13106485 0.80 AURKA (0.37) CASP3KDM4EALDH1A1GLAGAA
SCHEMBL4080159 0.80 AURKA (0.39) CASP3KDM4EALDH1A1GLAGAA
SCHEMBL29584180 0.80 AURKA (0.37) CASP3KDM4EALDH1A1GLAGAA
SCHEMBL26373736 0.80 CASP3 (0.36) CASP3KDM4EALDH1A1GLAGAA
SCHEMBL30200588 0.80 CACNA1H (0.37) CASP3KDM4EALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025106949-A1 WRN INHIBITORS RADD PHARMACEUTICALS, INC. (US) 2025-05-22 WO disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
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
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US 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
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US 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 CASP3 2627/4885KDM4E 718/4885ALDH1A1 3755/4885

“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.