SCHEMBL2037015

SCHEMBL2037015

Nc1cncc(OCc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.47
MAOB P27338 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
MGMT P16455 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
AOC3 Q16853 1/20 0.43
CYP11B2 P19099 1/20 0.42
MPO P05164 1/20 0.41
HRH4 Q9H3N8 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
SCHEMBL4265760 0.89 CYP11B2 (0.48) NUDT1MAOBGAAMAPTMAOA
SCHEMBL1134458 0.79 HTR2A (0.43) NUDT1L3MBTL1CDK2AOC3CYP11B2
SCHEMBL24265435 0.79 L3MBTL1 (0.46) NUDT1MAPTSMN1; SMN2L3MBTL1AOC3
SCHEMBL18080636 0.79 TSHR (0.42) NUDT1L3MBTL1AOC3CYP11B2HTR2A
SCHEMBL2144937 0.79 NUDT1 (0.49) NUDT1MAOBGAAMAPTMAOA
Bromide SCHEMBL5755353 0.77 NUDT1 (0.48) NUDT1MAOBGAAMAPTMAOA
SCHEMBL13884791 0.76 NUDT1 (0.57) NUDT1MAOBGAAMAPTMAOA
SCHEMBL22792228 0.76 NUDT1 (0.57) NUDT1MAOBGAAMAPTSMN1; SMN2
SCHEMBL25465500 0.76 AOC3 (0.40) NUDT1GAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL8863973 0.76 P4HTM (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708376-B2 Substituted imidazo[4,5-b]pyridines, imidazo[4,5-b]pyrazines, and oxazolo[4,5- b]pyrazines as mitochondrial uncouplers VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2023-07-25 US disclosed
US-11708376-B2 Substituted imidazo[4,5-b]pyridines, imidazo[4,5-b]pyrazines, and oxazolo[4,5- b]pyrazines as mitochondrial uncouplers VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2023-07-25 US disclosed
US-20210238181-A1 IMIDAZOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2021-08-05 US disclosed
WO-2019204816-A1 IMIDAZOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2019-10-24 WO disclosed
EP-1379510-B1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHEMOSENSITIZERS ICOS CORP (US) 2011-06-01 EP disclosed
US-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 KEEGAN KATHLEEN S 2010-04-29 US disclosed
US-7608618-B2 Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 ICOS CORPORATION (US) 2009-10-27 US disclosed
CN-100374425-C Aryl and heteroaryl urea CHK1 inhibitors for use as radiosensitizers and chamosensitizers YILE LILY CO LTD (US) 2008-03-12 CN disclosed
US-7067506-B2 Compounds useful for inhibiting Chk1 ICOS CORPORATION (US) 2006-06-27 US disclosed
US-20050245525-A1 Compounds useful for inhibiting CHK1 ICOS CORPORATION (US) 2005-11-03 US disclosed
CN-1507436-A Aryl and heteroaryl urea CHK1 inhibitors for use as radiosensitizers and chamosensitizers 2004-06-23 CN disclosed
EP-1379510-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2004-01-14 EP disclosed
US-20030069284-A1 Compounds useful for inhibiting Chk1 ICOS CORPORATION (A WASHINGTON CORPORATION) 2003-04-10 US disclosed
WO-2002070494-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2002-09-12 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 (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-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 CHEK1, PCNA, CHEK2 NUDT1 325/4885MAOB 3913/4885GAA 1301/4885
US-20050245525-A1 Compounds useful for inhibiting CHK1 CHEK1, PCNA, CHEK2 NUDT1 325/4885MAOB 3913/4885GAA 1301/4885
US-20210238181-A1 IMIDAZOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS GLS2, NDUFAF1, NDUFAB1 NUDT1 1362/4885MAOB 992/4885GAA 1107/4885
US-11708376-B2 Substituted imidazo[4,5-b]pyridines, imidazo[4,5-b]pyrazines, and oxazolo[4,5- b]pyrazines as mitochondrial uncouplers NDUFAF1, NDUFAB1, GLS2 NUDT1 1304/4885MAOB 708/4885GAA 1751/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 NUDT1 325/4885MAOB 3913/4885GAA 1301/4885

“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.