SCHEMBL15520239

SCHEMBL15520239

CCc1cc(=O)n2cccc(Br)c2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MPI P34949 1/20 0.43
MAT2A P31153 1/20 0.43
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37

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
SCHEMBL13833755 0.84 PKM (0.58) PKMKDM4EALDH1A1LMNAGLA
SCHEMBL2905445 0.83 KDM4E (0.64) PKMKDM4EALDH1A1LMNAGLA
SCHEMBL15519561 0.79 ALDH1A1 (0.67) PKMKDM4EALDH1A1LMNAGLA
SCHEMBL27122992 0.76 ALDH1A1 (0.50) PKMKDM4EALDH1A1LMNAGLA
SCHEMBL13151057 0.74 PKM (0.56) PKMKDM4ELMNAPOLBHTT
SCHEMBL11805447 0.73 PKM (0.56) PKMKDM4EALDH1A1LMNAGAA
SCHEMBL24632375 0.72 PDE10A (0.38) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL15519796 0.72 KCNQ3 (0.44) PKMKDM4EALDH1A1LMNAGLA
SCHEMBL2906516 0.72 KDM4E (0.61) PKMKDM4EALDH1A1LMNAGLA
SCHEMBL30038414 0.71 KDM4E (0.34) KDM4EALDH1A1PDE10A

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
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-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-19 US disclosed
EP-2708540-A1 PYRIMIDO-DIAZEPINONE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2014-03-19 EP 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 PKM 982/4885KDM4E 2816/4885ALDH1A1 629/4885

“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.