SCHEMBL14738249

SCHEMBL14738249

COC(=O)c1cnc(CCNC(=O)OC(C)(C)C)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.54
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GFER P55789 1/20 0.43
HTT P42858 1/20 0.41
BCHE P06276 1/20 0.40
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
NQO2 P16083 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ATM Q13315 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37

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 SCHEMBL14744029 0.99 MMP2 (0.53) MMP2NPSR1ALDH1A1GFERHTT
SCHEMBL14744184 0.80 NPSR1 (0.43) NPSR1ALDH1A1GFERHTTBCHE
SCHEMBL9573412 0.77 NPSR1 (0.43) NPSR1ALDH1A1GFERHTTBCHE
SCHEMBL14744177 0.76 MMP2 (0.67) MMP2ALDH1A1GAA
Hydrochloric Acid SCHEMBL14744176 0.75 MMP2 (0.65) MMP2ALDH1A1GAA
SCHEMBL1815335 0.75 CACNA1H (0.45) MMP2NPSR1GFERBCHESTK17B
SCHEMBL12647348 0.73 TDP1 (0.47) NPSR1STK17BSTK17AMEN1GAA
SCHEMBL390452 0.73 MMP2 (0.53) MMP2NPSR1ALDH1A1HTTMEN1
SCHEMBL4713820 0.73 NPSR1 (0.47) NPSR1ALDH1A1GFERHTTBCHE
SCHEMBL14738789 0.73 MMP2 (0.40) MMP2ALDH1A1KMT2ACA1CA2

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 6 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
CN-104024258-B Pyrrolopyrazine kinase inhibitors 霍夫曼-拉罗奇有限公司 2017-02-15 CN 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 MMP2 4074/4885NPSR1 1736/4885ALDH1A1 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.