SCHEMBL15519337

SCHEMBL15519337

O=c1oc(C(F)(F)F)nc2c(Br)cccc12

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.68
ENPP3 O14638 2/20 0.47
ENPP1 P22413 2/20 0.47
RAB9A P51151 1/20 0.46
C1R P00736 3/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.35
GLA P06280 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
SCHEMBL7424024 0.78 ELANE (0.63) ELANEC1RKMT2ACYP1A2
SCHEMBL21790503 0.78 ELANE (0.68) ELANEC1RKMT2ACYP1A2
SCHEMBL5687096 0.77 ELANE (0.43) ELANEENPP3ENPP1CYP1A2GLA
SCHEMBL6025899 0.76 ELANE (0.70) ELANEC1RKMT2A
SCHEMBL6259019 0.73 ELANE (1.00) ELANEC1RKMT2A
SCHEMBL10353582 0.72 ELANE (0.59) ELANERAB9AC1RCYP1A2GLA
SCHEMBL20680358 0.70 ELANE (0.61) ELANERAB9A
SCHEMBL15520213 0.67 CYP1A2 (0.48) ELANEENPP3ENPP1RAB9ACYP1A2
SCHEMBL1096064 0.67 ELANE (0.66) ELANEC1RKMT2A
SCHEMBL6233820 0.66 ELANE (0.64) ELANE

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 ELANE 3991/4885ENPP3 3307/4885ENPP1 3087/4885

“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.