SCHEMBL2656914

SCHEMBL2656914

Cc1cc(N)nn1Cc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.43
P2RX7 Q99572 1/20 0.42
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HRH1 P35367 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
PIK3CD O00329 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 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
SCHEMBL15034180 0.84 MAPT (0.49) USP30P2RX7BRD4ALDH1A1KMT2A
SCHEMBL17627029 0.82 PRMT5 (0.35) BRD4ALDH1A1KMT2AMEN1LMNA
SCHEMBL10141573 0.81 USP30 (0.43) USP30P2RX7BRD4ALDH1A1KMT2A
SCHEMBL17627070 0.77 KDM4E (0.56) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL16061307 0.77 MARS1 (0.55) USP30CYP1A2
SCHEMBL10174369 0.77 USP30 (0.40) USP30P2RX7BRD4ALDH1A1KMT2A
SCHEMBL17076686 0.75 GRIN1 (0.44) P2RX7ALDH1A1KMT2AMEN1PKM
SCHEMBL16832680 0.75 KDM4E (0.62) P2RX7ALDH1A1KMT2AMEN1PKM
SCHEMBL15164078 0.75 ADORA2A (0.40) CYP1A2CYP2C19
SCHEMBL3185325 0.74 PTGS1 (0.45) P2RX7KMT2AMEN1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2244706-B1 GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2016-04-06 EP claimed
EP-2244706-A1 GLUCOKINASE ACTIVATORS Merck Patent GmbH (DE) 2010-11-03 EP claimed
WO-2009106203-A1 GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2009-09-03 WO claimed
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 EP disclosed
EP-2244706-B1 GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2016-04-06 EP disclosed
EP-2197849-B1 N- ( PYRAZOLE- 3 -YL) -BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2013-02-27 EP disclosed
US-8236824-B2 N-(pyrazole-3-yl)-benzamide derivatives as glucokinase activators MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-08-07 US disclosed
EP-2244706-A1 GLUCOKINASE ACTIVATORS Merck Patent GmbH (DE) 2010-11-03 EP disclosed
US-20100210690-A1 N-(PYRAZOLE-3-YL)-BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-19 US disclosed
EP-2197849-A1 N- ( PYRAZOLE- 3 -YL) -BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS Merck Patent GmbH (DE) 2010-06-23 EP disclosed
WO-2009106203-A1 GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2009-09-03 WO disclosed
WO-2009046802-A1 N- ( PYRAZOLE- 3 -YL) -BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2009-04-16 WO 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-20100210690-A1 N-(PYRAZOLE-3-YL)-BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS GCKR, HK1, GCK USP30 3977/4885P2RX7 1157/4885BRD4 1785/4885

“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.