SCHEMBL15519964

SCHEMBL15519964

O=c1c2cccc(Br)c2ncn1CCF

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
CNR1 P21554 1/20 0.40
POLB P06746 3/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
PSMB5 P28074 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
TRPA1 O75762 1/20 0.37
TP53 P04637 1/20 0.36
PSMB1 P20618 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
SCHEMBL15519761 0.87 FSCN1 (0.40) MAPK1POLBPLA2G1BATG4BRAB9A
SCHEMBL15520200 0.83 SMN1; SMN2 (0.52) PLA2G1BATG4BRAB9AKDM4EALDH1A1
SCHEMBL15519807 0.83 RAB9A (0.44) MAPK1POLBRAB9AKDM4EALDH1A1
SCHEMBL15519410 0.83 KDM4E (0.48) POLBPLA2G1BATG4BRAB9AKDM4E
SCHEMBL15519373 0.82 CNR1 (0.41) CNR1PLA2G1BATG4BRAB9APSMB5
SCHEMBL15518945 0.82 CNR1 (0.41) MAPK1CNR1PLA2G1BATG4BRAB9A
SCHEMBL13833767 0.82 TRPA1 (0.49) MAPK1CNR1POLBRAB9AKDM4E
SCHEMBL15520185 0.81 ALDH1A1 (0.45) MAPK1POLBRAB9AKDM4EALDH1A1
SCHEMBL15519723 0.81 ALDH1A1 (0.48) MAPK1POLBRAB9AKDM4EALDH1A1
SCHEMBL15518793 0.78 ACVR1 (0.42)

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 MAPK1 2528/4885CNR1 28/4885POLB 2343/4885

“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.