SCHEMBL944098

SCHEMBL944098

Nc1ccn(Cc2cccnc2)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
PKM P14618 1/20 0.51
CYP11B1 P15538 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRNA7 P36544 1/20 0.44
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.41
GUSB P08236 1/20 0.41

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
SCHEMBL634581 0.80 ALDH1A1 (0.65) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL24853561 0.80 CYP11B1 (0.50) ALDH1A1L3MBTL1TDP1PKMCYP11B1
SCHEMBL2656708 0.79 ALDH1A1 (0.54) ALDH1A1L3MBTL1TDP1CYP11B1MEN1
SCHEMBL15871699 0.76 CYP11B1 (0.46) ALDH1A1L3MBTL1TDP1PKMCYP11B1
SCHEMBL2643717 0.74 PKM (0.65) ALDH1A1L3MBTL1TDP1PKMCYP11B1
SCHEMBL3433837 0.74 GAA (0.58) ALDH1A1L3MBTL1TDP1PKMCYP11B1
SCHEMBL4024502 0.73 MAPT (0.55) ALDH1A1L3MBTL1PKMCYP11B1MEN1
SCHEMBL25828536 0.73 ALDH1A1 (0.44) ALDH1A1L3MBTL1TDP1PKMCYP11B1
SCHEMBL15651209 0.73 ALDH1A1 (0.51) ALDH1A1L3MBTL1PKMCYP11B1CHRNB2
SCHEMBL2276119 0.72 ALDH1A1 (0.68) ALDH1A1L3MBTL1TDP1CYP11B1MEN1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334265-B2 3-amino-pyrazole derivatives useful against tuberculosis GLAXO GROUP LIMITED (GB) 2016-05-10 US disclosed
US-9334265-B2 3-amino-pyrazole derivatives useful against tuberculosis GLAXO GROUP LIMITED (GB) 2016-05-10 US disclosed
US-20150307485-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2015-10-29 US disclosed
US-20150307485-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2015-10-29 US disclosed
US-9000181-B2 3-amino-pyrazole derivatives useful against tuberculosis GLAXO GROUP LIMITED (GB) 2015-04-07 US disclosed
US-9000181-B2 3-amino-pyrazole derivatives useful against tuberculosis GLAXO GROUP LIMITED (GB) 2015-04-07 US disclosed
EP-2627653-B1 3-AMINO-PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LTD (GB) 2014-12-24 EP disclosed
US-20140288133-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2014-09-25 US disclosed
US-20140288133-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2014-09-25 US disclosed
US-8779153-B2 3-amino-pyrazole derivatives useful against tuberculosis GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
US-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-13 US disclosed
EP-2245025-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES 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
US-20100210690-A1 N-(PYRAZOLE-3-YL)-BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-19 US 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-2009106209-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES 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
WO-2009046802-A1 N- ( PYRAZOLE- 3 -YL) -BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2009-04-16 WO disclosed
US-20080146625-A1 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus BERTHEL STEVEN JOSEPH 2008-06-19 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 (5 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 ALDH1A1 262/4885L3MBTL1 1069/4885TDP1 497/4885
US-20140288133-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 ALDH1A1 3057/4885L3MBTL1 1789/4885TDP1 4435/4885
US-20080146625-A1 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus GCK, PC, PCK2 ALDH1A1 757/4885L3MBTL1 3034/4885TDP1 3923/4885
US-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES GLS, GCKR, HK1 ALDH1A1 268/4885L3MBTL1 2183/4885TDP1 709/4885
US-20150307485-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 ALDH1A1 2995/4885L3MBTL1 1523/4885TDP1 4421/4885

“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.