SCHEMBL2032999

SCHEMBL2032999

Nc1cncc(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.57
ADORA2A P29274 3/20 0.48
ADORA1 P30542 2/20 0.48
GRM4 Q14833 1/20 0.47
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 2/20 0.44
TLR9 Q9NR96 1/20 0.44
AURKA O14965 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PRKACA P17612 1/20 0.44
CYP11B2 P19099 2/20 0.44
CYP11B1 P15538 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL15614091 0.96 ASIC3 (0.53) ASIC3ADORA2AADORA1GRM4ALDH1A1
SCHEMBL15268979 0.84 ALOX5AP (0.55) ASIC3ADORA2AADORA1GRM4ALDH1A1
SCHEMBL13996075 0.84 MEN1 (0.62) ASIC3ADORA2AADORA1ALDH1A1MEN1
SCHEMBL23143338 0.83 LMNA (0.42) ASIC3ALDH1A1MEN1KMT2ARAB9A
SCHEMBL3068958 0.82 HSP90AA1 (0.56) ALDH1A1MEN1RAB9AHSP90AA1MAPT
SCHEMBL2252732 0.79 ALDH1A1 (0.48) ALDH1A1RAB9ACYP11B2KDM4EALOX5AP
SCHEMBL3064277 0.77 KDM4E (0.54) ADORA2AMEN1KMT2ACYP11B2MAPT
SCHEMBL15269260 0.75 PDGFRB (0.54) RAB9ANPC1ALOX5APFEN1
SCHEMBL21682820 0.75 PIM1 (0.61) ADORA2ACYP11B2CYP11B1ALOX5APFEN1
SCHEMBL13798848 0.74 RAB9A (0.44) ASIC3ADORA2AADORA1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230066315-A1 COMPOUNDS AND USES THEREOF NUVATION BIO OPERATING COMPANY LLC 2023-03-02 US disclosed
US-20220298142-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-09-22 US disclosed
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-04-21 US disclosed
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-04-21 US disclosed
US-11306071-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2022-04-19 US disclosed
EP-3670520-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2022-01-12 EP disclosed
CN-113924095-A Heterocyclic compounds as adenosine antagonists 诺维逊生物股份有限公司 2022-01-11 CN disclosed
EP-3911325-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS Nuvation Bio Inc. (US) 2021-11-24 EP disclosed
EP-3911322-A1 COMPOUNDS AND USES THEREOF Nuvation Bio Inc. (US) 2021-11-24 EP disclosed
EP-3911323-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS Nuvation Bio Inc. (US) 2021-11-24 EP 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 (7 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 ASIC3 4870/4885ADORA2A 4166/4885ADORA1 4468/4885
US-11306071-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 ASIC3 2783/4885ADORA2A 1/4885ADORA1 3/4885
US-20050245525-A1 Compounds useful for inhibiting CHK1 CHEK1, PCNA, CHEK2 ASIC3 4870/4885ADORA2A 4166/4885ADORA1 4468/4885
US-20230066315-A1 COMPOUNDS AND USES THEREOF ADORA2A, GRK2, GRK4 ASIC3 2708/4885ADORA2A 1/4885ADORA1 13/4885
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ASIC3 2799/4885ADORA2A 1/4885ADORA1 3/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 ASIC3 4870/4885ADORA2A 4166/4885ADORA1 4468/4885
US-20220298142-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ASIC3 2783/4885ADORA2A 1/4885ADORA1 3/4885

“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.