SCHEMBL14738345

SCHEMBL14738345

COC(=O)c1cnc([C@H](C)N)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.48
MAPK1 P28482 3/20 0.38
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 4/20 0.37
GAA P10253 3/20 0.37
GLA P06280 2/20 0.37
TSHR P16473 1/20 0.37
XDH P47989 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ULK1 O75385 1/20 0.35
PARP1 P09874 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
PDE5A O76074 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
GABRA1 P14867 1/20 0.33
HPGD P15428 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
Hydrochloric Acid SCHEMBL14738344 0.98 MMP2 (0.47) MMP2MAPK1CYP1A2KDM4EGAA
Hydrochloric Acid SCHEMBL14738656 0.98 MMP2 (0.47) MMP2MAPK1CYP1A2KDM4EGAA
SCHEMBL8225066 0.86 MMP2 (0.50) MMP2MAPK1CYP1A2KDM4EGAA
SCHEMBL20630812 0.76 MMP2 (0.64) MMP2MAPK1TSHRALDH1A1PKM
SCHEMBL24415499 0.75 MMP2 (0.49) MMP2MAPK1CYP1A2KDM4EGAA
SCHEMBL2894225 0.75 MMP2 (0.44) MMP2MAPK1GAAXDHALDH1A1
SCHEMBL20630811 0.75 MMP2 (0.60) MMP2MAPK1CYP1A2KDM4EGAA
SCHEMBL14738789 0.74 MMP2 (0.40) MMP2MAPK1TSHRALDH1A1LMNA
SCHEMBL27979022 0.74 MMP2 (0.40) MMP2MAPK1TSHRALDH1A1LMNA
SCHEMBL14744177 0.73 MMP2 (0.67) MMP2MAPK1CYP1A2KDM4EGAA

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 7 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-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 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
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

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 MMP2 4074/4885MAPK1 233/4885CYP1A2 2215/4885

“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.