SCHEMBL14738670

SCHEMBL14738670

NC(=O)[CH]C(=O)NCCO

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR2 P34972 1/20 0.32
CNR1 P21554 2/20 0.32
MMP13 P45452 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5175940 0.79 ALDH1A1 (0.38) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL5055232 0.79 ALDH1A1 (0.38) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL5028645 0.79 ALDH1A1 (0.38) ALDH1A1MAPTMEN1USP2KMT2A
Acrylamide SCHEMBL28120831 0.77 ALDH1A1 (0.50) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL9570820 0.76 CNR2 (0.45) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL9570817 0.76 CNR2 (0.45) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL4141434 0.74 HPGD (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11306763 0.74 ALDH1A1 (0.46) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL679130 0.74 ALDH1A1 (0.46) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL679131 0.74 ALDH1A1 (0.46) ALDH1A1MAPTMEN1USP2KMT2A

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 3 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
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 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 ALDH1A1 3755/4885MAPT 3736/4885MEN1 3956/4885

“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.