SCHEMBL15519561

SCHEMBL15519561

Cc1cc(=O)n2cccc(Br)c2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
KDM4E B2RXH2 3/20 0.67
LMNA P02545 3/20 0.67
GLA P06280 1/20 0.67
GAA P10253 1/20 0.67
MPI P34949 1/20 0.67
JAK2 O60674 2/20 0.47
BTK Q06187 2/20 0.47
PTK2 Q05397 2/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CSF1R P07333 1/20 0.47

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
SCHEMBL11813953 0.84 KDM4E (0.69) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL7011577 0.81 KDM4E (0.97) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL27122992 0.79 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL11713854 0.79 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL15520239 0.79 PKM (0.43) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL31257935 0.78 KDM4E (0.64) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL27122590 0.76 KDM4E (0.44) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL15519796 0.76 KCNQ3 (0.44) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL31313820 0.73 KDM4E (0.41) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL11924607 0.73 PRKDC (0.61) ALDH1A1KDM4ELMNAGLAGAA

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 ALDH1A1 629/4885KDM4E 2816/4885LMNA 3557/4885

“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.