SCHEMBL15518747

SCHEMBL15518747

CCn1c(C(F)(F)F)nc2c(Br)cccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 1/20 0.42
▸ ENPP1 P22413 1/20 0.42
▸ GLA P06280 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ GRM2 Q14416 1/20 0.35
▸ PDE7A Q13946 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 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
SCHEMBL15580426 0.85 ELANE (0.48) GLACYP1A2KDM4EMAPK1GAA
SCHEMBL15520213 0.82 CYP1A2 (0.48) ENPP3ENPP1GLACYP1A2ALDH1A1
SCHEMBL27291394 0.80 HPGD (0.47) GLACYP1A2ALDH1A1KDM4EMAPK1
SCHEMBL15228801 0.79 ALDH1A1 (0.45) ENPP3ENPP1GLACYP1A2ALDH1A1
SCHEMBL15228810 0.76 PIM1 (0.54) PDE7A
SCHEMBL15228557 0.73 ENPP3 (0.45) ENPP3ENPP1CYP1A2ALDH1A1GAA
SCHEMBL15519381 0.72 MEN1 (0.45) CYP1A2ALDH1A1KDM4EGAAHPGD
SCHEMBL18335903 0.71 MEN1 (0.36) CYP1A2ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL15228895 0.71 PIM1 (0.56) —
SCHEMBL30784032 0.71 DPP4 (0.36) ALDH1A1KDM4EMAPK1HSD17B10HTT

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 ENPP3 3307/4885ENPP1 3087/4885GLA 3513/4885

“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.

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