SCHEMBL15801419

SCHEMBL15801419

Cc1cccc2c(=O)n(CCCN(C)C)cnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
TRPA1 O75762 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
HTR7 P34969 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL15801417 0.92 KDM4E (0.49) POLBTRPA1HTR7KDM4EALDH1A1
SCHEMBL15520185 0.86 ALDH1A1 (0.45) POLBTDP1KDM4EALDH1A1HPGD
SCHEMBL13833767 0.82 TRPA1 (0.49) POLBTRPA1HTR7KDM4EALDH1A1
SCHEMBL13833622 0.82 POLB (0.56) POLBTRPA1HTR7KDM4EALDH1A1
SCHEMBL30552896 0.81 TRPA1 (0.48) POLBTRPA1HTR7KDM4EALDH1A1
SCHEMBL15801421 0.81 TRPA1 (0.51) POLBTRPA1HTR7KDM4EALDH1A1
SCHEMBL29195179 0.81 POLB (0.49) POLBTRPA1HTR7KDM4EALDH1A1
SCHEMBL30884650 0.81 POLB (0.49) POLBTRPA1HTR7KDM4EALDH1A1
SCHEMBL13833623 0.80 POLB (0.48) POLBTRPA1HTR7KDM4EALDH1A1
SCHEMBL12877789 0.79 SMN1; SMN2 (0.54) POLBTRPA1KDM4EALDH1A1HPGD

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 5 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-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
US-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-19 US 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 POLB 2343/4885TRPA1 2194/4885TDP1 3229/4885

“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.