SCHEMBL15519458

SCHEMBL15519458

Cc1nc2c(Br)cccc2c(=O)n1CC(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ PDE7A Q13946 5/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE7B Q9NP56 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ DYRK2 Q92630 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ AKR1B10 O60218 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
SCHEMBL15801420 0.86 PDE7A (0.49) MEN1KMT2APDE7AALDH1A1TSHR
SCHEMBL15519381 0.83 MEN1 (0.45) MEN1KMT2APDE7AALDH1A1TSHR
SCHEMBL1161286 0.75 PDE7A (0.43) PDE7AALDH1A1EGFRHPGDGAA
SCHEMBL15518945 0.72 CNR1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL17449522 0.71 HPGD (0.44) MEN1KMT2AALDH1A1TSHRPDE4B
SCHEMBL15228801 0.70 ALDH1A1 (0.45) PDE7AALDH1A1TSHRPDE4APDE4B
SCHEMBL12788929 0.70 PDE7A (0.40) MEN1KMT2APDE7AALDH1A1EGFR
SCHEMBL15518747 0.70 ENPP3 (0.42) MEN1KMT2APDE7AALDH1A1TSHR
SCHEMBL13833572 0.69 CASR (0.48) MEN1KMT2APDE7ATSHRPDE4A
SCHEMBL15228557 0.68 ENPP3 (0.45) ALDH1A1HPGDGAACYP1A2CYP2D6

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 MEN1 2037/4885KMT2A 1479/4885PDE7A 531/4885

“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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