SCHEMBL15519378

SCHEMBL15519378

Cc1nc2cccc(Br)c2c(=O)n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
PIM1 P11309 1/20 0.41
LIMK1 P53667 1/20 0.41
TYRO3 Q06418 1/20 0.41
MAPK14 Q16539 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CACNA2D1 P54289 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ELANE P08246 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
TNF P01375 1/20 0.37
IL1B P01584 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
IKZF3 Q9UKT9 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC1 Q13547 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
SCHEMBL7014708 0.83 ELANE (0.49) KDM4EELANEALDH1A1LMNAPARP1
SCHEMBL31276916 0.81 DHODH (0.47) CHEK1PIM1LIMK1TYRO3MAPK14
SCHEMBL15840329 0.80 PARP1 (0.51) KDM4EALDH1A1LMNAHCAR1MEN1
SCHEMBL20404253 0.80 PARP1 (0.51) KDM4EELANEPARP1
SCHEMBL16309055 0.79 ELANE (0.53) KDM4EELANEALDH1A1LMNATNF
SCHEMBL25169153 0.77 EGFR (0.42) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL15840321 0.76 EIF4EBP1 (0.43) KDM4EALDH1A1LMNATNFIL1B
SCHEMBL16310614 0.76 ALDH1A1 (0.53) KDM4EELANEALDH1A1HCAR1MEN1
SCHEMBL15840313 0.76 HSD11B1 (0.38) KDM4EALDH1A1LMNATNFIL1B
SCHEMBL17449525 0.76 KDM4E (0.36) KDM4EALDH1A1LMNATNFIL1B

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 CHEK1 2652/4885PIM1 2896/4885LIMK1 3680/4885

“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.