SCHEMBL1860581

SCHEMBL1860581

CCS(=O)(=O)n1ccc(N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
GAA P10253 4/20 0.34
PKM P14618 2/20 0.34
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 2/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 3/20 0.30
NPSR1 Q6W5P4 2/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 2/20 0.30
TSHR P16473 2/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 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
SCHEMBL23951205 0.80 PKM (0.34) ALDH1A1GAAPKMMAPTHSD17B10
SCHEMBL24884283 0.73 ALDH1A1 (0.41) ALDH1A1GAAPKMMAPTMEN1
SCHEMBL29130905 0.73 PKM (0.36) ALDH1A1GAAPKMMAPTKMT2A
SCHEMBL10768598 0.71 NSD2 (0.35) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL1859816 0.71 F2 (0.41) ALDH1A1GAAPKMMAPTKMT2A
SCHEMBL23951524 0.71 GAA (0.47) ALDH1A1GAAPKMMAPTMEN1
SCHEMBL14746695 0.69 ALDH1A1 (0.37) ALDH1A1GAAPKMMAPTL3MBTL1
SCHEMBL23951294 0.67 MAPT (0.36) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL15651478 0.67 GAA (0.36) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL23951284 0.66 LPL (0.34)

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
US-20230009626-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2023-01-12 US disclosed
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
CN-101541756-A Pyrazoles as glucokinase activators HOFFMANN LA ROCHE (CH) 2009-09-23 CN disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO disclosed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 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 (2 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-20230009626-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP4K2, MAP4K4 ALDH1A1 2009/4885GAA 3596/4885PKM 486/4885
US-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 ALDH1A1 1567/4885GAA 150/4885PKM 116/4885

“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.