SCHEMBL9733251

SCHEMBL9733251

C[C@H](CNC(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
CTSS P25774 3/20 0.43
CTSK P43235 3/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
AAK1 Q2M2I8 1/20 0.40
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SYK P43405 1/20 0.39
SERPINE1 P05121 1/20 0.39
CYP2D6 P10635 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38

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
SCHEMBL5478424 1.00 MAOA (0.45) MAOAMAOBMEN1GAAKMT2A
SCHEMBL18515428 1.00 MAOA (0.45) MAOAMAOBMEN1GAAKMT2A
SCHEMBL22728173 0.85 MEN1 (0.47) MAOAMAOBMEN1GAAKMT2A
SCHEMBL4740872 0.83 KMT2A (0.54) MAOAMAOBMEN1GAAKMT2A
SCHEMBL288557 0.83 KMT2A (0.54) MAOAMAOBMEN1GAAKMT2A
SCHEMBL825590 0.83 KMT2A (0.54) MAOAMAOBMEN1GAAKMT2A
SCHEMBL1262051 0.81 CA12 (0.46) MAOAMAOBMEN1GAAKMT2A
SCHEMBL7973701 0.81 MEN1 (0.45) MAOAMAOBMEN1GAAKMT2A
SCHEMBL1262055 0.81 CA12 (0.46) MAOAMAOBMEN1GAAKMT2A
SCHEMBL4377746 0.81 MAOA (0.45) MAOAMAOBMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3130608-B1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE DAIICHI SANKYO CO LTD (JP) 2019-09-04 EP 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
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
US-5147888-A Hypotensive agents; renin inhibitors G. D. SEARLE & CO. (US) 1992-09-15 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 MAOA 3101/4885MAOB 2265/4885MEN1 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.