SCHEMBL15520185

SCHEMBL15520185

CN(C)CCCn1cnc2c(Br)cccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
NPC1 O15118 3/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
PABPC1 P11940 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.41
KAT2B Q92831 1/20 0.39
TOP2A P11388 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
GSK3B P49841 1/20 0.39
CYP1A2 P05177 2/20 0.38

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
SCHEMBL15519410 0.92 KDM4E (0.48) ALDH1A1KDM4ENPC1POLBMEN1
SCHEMBL15801419 0.86 POLB (0.50) ALDH1A1KDM4ENPC1POLBMEN1
SCHEMBL15519723 0.82 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1POLBMEN1
SCHEMBL15519964 0.81 MAPK1 (0.40) ALDH1A1KDM4ENPC1POLBLMNA
SCHEMBL15519761 0.80 FSCN1 (0.40) ALDH1A1KDM4ENPC1POLBLMNA
SCHEMBL15520200 0.79 SMN1; SMN2 (0.52) ALDH1A1KDM4ENPC1LMNAHPGD
SCHEMBL15519807 0.79 RAB9A (0.44) ALDH1A1KDM4ENPC1POLBMEN1
SCHEMBL15801417 0.77 KDM4E (0.49) ALDH1A1KDM4EPOLBHPGDKAT2B
SCHEMBL15518793 0.74 ACVR1 (0.42)
SCHEMBL15519793 0.74 TLR7 (0.46) RAB9A

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 ALDH1A1 629/4885KDM4E 2816/4885NPC1 1958/4885

“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.