SCHEMBL15519373

SCHEMBL15519373

O=c1c2cccc(Br)c2ncn1CC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
CYP17A1 P05093 4/20 0.38
CYP1A2 P05177 1/20 0.38
TRPA1 O75762 2/20 0.38
DDR1 Q08345 5/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35

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
SCHEMBL15519793 0.86 TLR7 (0.46) TRPA1DDR1PLA2G1BATG4BSMN1; SMN2
SCHEMBL15520200 0.84 SMN1; SMN2 (0.52) TRPA1DDR1PLA2G1BATG4BSMN1; SMN2
SCHEMBL13833763 0.83 TRPA1 (0.47) CNR1CYP17A1CYP1A2TRPA1SMN1; SMN2
SCHEMBL15519964 0.82 MAPK1 (0.40) CNR1CYP1A2TRPA1PLA2G1BATG4B
SCHEMBL15518945 0.80 CNR1 (0.41) CNR1TRPA1PLA2G1BATG4BSMN1; SMN2
SCHEMBL15519761 0.78 FSCN1 (0.40) PLA2G1BATG4BRAB9APSMB1PSMB5
SCHEMBL31753980 0.76 SMN1; SMN2 (0.55) CYP1A2SMN1; SMN2HTTRAB9A
SCHEMBL15228456 0.76 SMN1; SMN2 (0.55) CYP1A2SMN1; SMN2HTTRAB9A
SCHEMBL15519807 0.75 RAB9A (0.44) SMN1; SMN2RAB9A
SCHEMBL15519410 0.75 KDM4E (0.48) PLA2G1BATG4BSMN1; SMN2RAB9A

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 CNR1 28/4885CYP17A1 1674/4885CYP1A2 772/4885

“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.