SCHEMBL15518786

SCHEMBL15518786

CCNC(=O)c1c(N)cccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 6/20 0.38
P2RX7 Q99572 1/20 0.38
PRKCZ Q05513 2/20 0.37
F2R P25116 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
SLC6A19 Q695T7 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL15520067 0.81 HDAC8 (0.42) KMT2AKDM4EF2RALDH1A1HPGD
SCHEMBL8932345 0.80 P2RX7 (0.57) P2RX7PRKCZALDH1A1HPGD
SCHEMBL8424563 0.80 NPC1 (0.46) KMT2AMEN1HPGDHDAC1RAB9A
SCHEMBL7223723 0.78 KMT2A (0.38) KMT2AMEN1CYP1A2CYP2C19KDM4E
SCHEMBL15228510 0.77 HTT (0.44) KMT2AMEN1CYP1A2CYP2C19KDM4E
SCHEMBL11869126 0.75 NSD2 (0.47) KMT2AKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL1189236 0.74 THRB (0.45) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1189541 0.74 CA1 (0.52) KMT2AMEN1CYP1A2CYP2C19KDM4E
SCHEMBL1189107 0.73 CA12 (0.56) KMT2AMEN1CYP1A2CYP2C19KDM4E
SCHEMBL9092 0.72 MMP2 (0.45) KMT2AMEN1KDM4EL3MBTL1ALDH1A1

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 KMT2A 1479/4885MEN1 2037/4885CYP1A2 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.