SCHEMBL14738408

SCHEMBL14738408

NC(=O)[CH]CC(=O)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 4/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BPTF Q12830 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 1/20 0.36
F2 P00734 1/20 0.34
HPGD P15428 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
SCHEMBL4323032 0.98 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1ATML3MBTL1GAA
SCHEMBL3988863 0.82 L3MBTL1 (0.50) SMN1; SMN2ALDH1A1L3MBTL1GAAMEN1
SCHEMBL4331533 0.82 FAAH (0.36) ALDH1A1HPGD
SCHEMBL6203722 0.75 ATM (0.52) SMN1; SMN2ALDH1A1ATML3MBTL1GAA
SCHEMBL3082371 0.75 ATM (0.52) SMN1; SMN2ALDH1A1ATML3MBTL1GAA
SCHEMBL5517609 0.73 ATM (0.50) SMN1; SMN2ALDH1A1ATML3MBTL1GAA
SCHEMBL2184936 0.73 ATM (0.50) SMN1; SMN2ALDH1A1ATML3MBTL1GAA
SCHEMBL5315426 0.71 ATM (0.48) SMN1; SMN2ALDH1A1ATML3MBTL1GAA
SCHEMBL6050178 0.71 L3MBTL1 (0.48) SMN1; SMN2ALDH1A1ATML3MBTL1GAA
SCHEMBL5312699 0.71 ATM (0.48) SMN1; SMN2ALDH1A1ATML3MBTL1GAA

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 claimed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US claimed
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 SMN1; SMN2 4803/4885ALDH1A1 3755/4885ATM 717/4885

“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.