SCHEMBL15801422

SCHEMBL15801422

Cc1cncc2c(=O)n(C)cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
IP6K1 Q92551 1/20 0.34
TGFBR1 P36897 1/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
KDM4E B2RXH2 1/20 0.33
BCAT2 O15382 1/20 0.33
LMNA P02545 1/20 0.33
PIK3CD O00329 1/20 0.33
POLB P06746 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
NTSR1 P30989 1/20 0.33

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
SCHEMBL15519338 0.81 F2RL3 (0.36) F2RL3L3MBTL1IP6K1KDM4EPIK3CD
SCHEMBL13833806 0.75 PARP1 (0.49) F2RL3
SCHEMBL22306189 0.75 F2RL3 (0.56) F2RL3L3MBTL1IP6K1
SCHEMBL24242353 0.74 F2RL3 (0.39) F2RL3L3MBTL1IP6K1HPGDALDH1A1
SCHEMBL20203176 0.71 TRPA1 (0.41) L3MBTL1HPGDBCAT2LMNA
SCHEMBL24242354 0.71 ALDH1A1 (0.34) F2RL3HPGDALDH1A1BCAT2LMNA
SCHEMBL8404472 0.70
SCHEMBL20299339 0.69 F2RL3 (0.54) F2RL3L3MBTL1IP6K1KDM4E
SCHEMBL20203287 0.68 BCAT2 (0.39) F2RL3L3MBTL1HPGDBCAT2LMNA
SCHEMBL15801425 0.68 F2RL3 (0.40) F2RL3L3MBTL1IP6K1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND REN, AGTR1, KCNJ1 F2RL3 2030/4885L3MBTL1 4280/4885IP6K1 3519/4885

“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.