SCHEMBL15518945

SCHEMBL15518945

O=c1c2cccc(Br)c2ncn1CC(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
TRPA1 O75762 2/20 0.38
PSMB5 P28074 3/20 0.37
PSMB1 P20618 2/20 0.37
USP7 Q93009 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
RAB9A P51151 1/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL13833768 0.83 TRPA1 (0.50) CNR1TRPA1ALDH1A1TLR7RAB9A
SCHEMBL15519964 0.82 MAPK1 (0.40) CNR1TRPA1PSMB5PSMB1ALDH1A1
SCHEMBL15520200 0.81 SMN1; SMN2 (0.52) TRPA1PSMB5PSMB1ALDH1A1LMNA
SCHEMBL15519373 0.80 CNR1 (0.41) CNR1TRPA1PSMB5PSMB1HTT
SCHEMBL23852698 0.79 PRPS1 (0.42) CNR1RAB9ASMN1; SMN2
SCHEMBL15519761 0.78 FSCN1 (0.40) PSMB5PSMB1USP7ALDH1A1LMNA
SCHEMBL15519793 0.75 TLR7 (0.46) TRPA1PSMB5PSMB1TLR7RAB9A
SCHEMBL15519410 0.75 KDM4E (0.48) ALDH1A1LMNATLR7RAB9APLA2G1B
SCHEMBL15519807 0.75 RAB9A (0.44) ALDH1A1LMNARAB9AKDM4ESMN1; SMN2
SCHEMBL15519723 0.73 ALDH1A1 (0.48) ALDH1A1LMNAHTTRAB9AKDM4E

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 28/4885TRPA1 2194/4885PSMB5 3473/4885

“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.