SCHEMBL15519381

SCHEMBL15519381

Cc1nc2c(Br)cccc2c(=O)n1CCF

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ TSHR P16473 2/20 0.44
▸ GAA P10253 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ PDE7A Q13946 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ AKR1B10 O60218 2/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ CASR P41180 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 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
SCHEMBL13833572 0.85 CASR (0.48) MEN1KMT2ATSHRGAAGFER
SCHEMBL15519458 0.83 MEN1 (0.38) MEN1KMT2ATSHRGAAEGFR
SCHEMBL1161286 0.80 PDE7A (0.43) GAAEGFRPDE7AALDH1A1HPGD
SCHEMBL15228801 0.72 ALDH1A1 (0.45) TSHRGAAPDE7AALDH1A1HPGD
SCHEMBL15518747 0.72 ENPP3 (0.42) MEN1KMT2ATSHRGAAPDE7A
SCHEMBL15519964 0.71 MAPK1 (0.40) ALDH1A1HPGDKDM4EPOLBSMN1; SMN2
SCHEMBL28499593 0.70 TSHR (0.46) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL15228958 0.70 ALDH1A1 (0.41) PDE7AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL25360338 0.70 TLR7 (0.46) KMT2ATSHRPDE7AALDH1A1HPGD
SCHEMBL15520213 0.70 CYP1A2 (0.48) PDE7AALDH1A1KDM4EHRH4CYP1A2

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 1479/4885TSHR 128/4885

“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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