SCHEMBL15801428

SCHEMBL15801428

Cc1cn(C)c2ncn(C)c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.42
ADORA2B P29275 3/20 0.42
PIK3CD O00329 1/20 0.42
POLB P06746 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
ADORA1 P30542 1/20 0.42
NTSR1 P30989 1/20 0.42
MC3R P41968 1/20 0.42
NOTUM Q6P988 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
GDA Q9Y2T3 1/20 0.42
NR2E1 Q9Y466 1/20 0.42
BCAT2 O15382 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 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
SCHEMBL15519349 0.79 ADORA2A (0.41) ADORA2AADORA2BPIK3CDPOLBADORA3
SCHEMBL20224870 0.79 MAP2K1 (0.42) ADORA2AADORA2BPIK3CDPOLBADORA3
SCHEMBL25665415 0.79 ADORA2A (0.41) ADORA2AADORA2BPIK3CDPOLBADORA3
SCHEMBL20224896 0.79 ADORA2A (0.41) ADORA2AADORA2BPIK3CDPOLBADORA3
SCHEMBL22883502 0.69 MAP2K1 (0.38) ADORA2AADORA2BPIK3CDPOLBADORA3
SCHEMBL6935760 0.68 ADORA2A (0.33) ADORA2AADORA1NOTUMCYP1A2MAPK1
SCHEMBL12235955 0.68 CDK5 (0.38) CYP1A2
SCHEMBL21887491 0.68 ADORA2A (0.38) ADORA2AADORA2BPIK3CDPOLBADORA3
SCHEMBL15580432 0.68 LMNA (0.42) GDABCAT2LMNAHPGDCYP3A4
SCHEMBL14438644 0.67 ADORA2A (0.48) ADORA2AADORA2BPIK3CDPOLBADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2023-05-18 US disclosed
EP-2708540-B1 PYRIMIDO-DIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-07-25 EP disclosed
US-9453021-B2 Pyrimidodiazepinone compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-09-27 US disclosed
US-9453021-B2 Pyrimidodiazepinone compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-09-27 US disclosed
US-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-19 US disclosed
US-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-19 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 (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-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF STING1, CGAS, TLR9 ADORA2A 2409/4885ADORA2B 3423/4885PIK3CD 132/4885
US-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND REN, AGTR1, KCNJ1 ADORA2A 795/4885ADORA2B 723/4885PIK3CD 2578/4885

“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.