SCHEMBL15519793

SCHEMBL15519793

CC(C)(O)Cn1cnc2c(Br)cccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.46
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
TRPA1 O75762 6/20 0.39
PSMB5 P28074 3/20 0.38
PSMB1 P20618 2/20 0.38
DDR1 Q08345 3/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3CA P42336 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
SCHEMBL15519373 0.86 CNR1 (0.41) PLA2G1BATG4BTRPA1PSMB5PSMB1
SCHEMBL15801416 0.85 TRPA1 (0.52) TLR7TRPA1RAB9ASMN1; SMN2
SCHEMBL15520200 0.81 SMN1; SMN2 (0.52) PLA2G1BATG4BTRPA1PSMB5PSMB1
SCHEMBL23851592 0.80 PRPS1 (0.46) TLR7
SCHEMBL15519761 0.79 FSCN1 (0.40) PLA2G1BATG4BPSMB5PSMB1RAB9A
SCHEMBL15519964 0.77 MAPK1 (0.40) PLA2G1BATG4BTRPA1PSMB5PSMB1
SCHEMBL15519410 0.76 KDM4E (0.48) TLR7PLA2G1BATG4BRAB9ASMN1; SMN2
SCHEMBL15519807 0.76 RAB9A (0.44) RAB9ASMN1; SMN2
SCHEMBL15519299 0.75 RAB9A (0.40) PLA2G1BATG4BRAB9ASMN1; SMN2
SCHEMBL15518945 0.75 CNR1 (0.41) TLR7PLA2G1BATG4BTRPA1PSMB5

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 TLR7 1432/4885PLA2G1B 4286/4885ATG4B 3481/4885

“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.