SCHEMBL15519416

SCHEMBL15519416

COCCNC(=O)c1cccc(Br)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.54
▸ ALOX15 P16050 1/20 0.52
▸ HPGD P15428 7/20 0.51
▸ POLB P06746 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA3 P07451 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA6 P23280 1/20 0.45
▸ CA5A P35218 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA13 Q8N1Q1 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ CA5B Q9Y2D0 1/20 0.45

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
SCHEMBL15519745 0.83 CA12 (0.49) HPGDPOLBHTTALDH1A1GAA
SCHEMBL1855523 0.82 MAPK1 (0.54) MAPK1ALOX15HPGDPOLBHTT
SCHEMBL15228510 0.81 HTT (0.44) HPGDPOLBHTTALDH1A1CA2
SCHEMBL15229031 0.81 HPGD (0.43) HPGDHTTALDH1A1GAAHSD17B10
SCHEMBL30223440 0.78 ALDH1A1 (0.68) MAPK1ALOX15HPGDPOLBALDH1A1
SCHEMBL2546081 0.78 ALDH1A1 (0.68) MAPK1ALOX15HPGDPOLBALDH1A1
SCHEMBL13281184 0.78 HPGD (0.56) MAPK1ALOX15HPGDPOLBALDH1A1
SCHEMBL1189085 0.76 ALDH1A1 (0.56) ALOX15HPGDPOLBHTTALDH1A1
SCHEMBL2062590 0.76 PLK1 (0.49) HPGDALDH1A1GAAHSD17B10SMN1; SMN2
SCHEMBL15228675 0.75 ALDH1A1 (0.48) POLBHTTALDH1A1KMT2AMEN1

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 2528/4885ALOX15 4076/4885HPGD 1413/4885

“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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