SCHEMBL15801418

SCHEMBL15801418

COCCn1cnc2c(C)cccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TRPA1 O75762 2/20 0.47
LMNA P02545 4/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 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
SCHEMBL13833622 0.92 POLB (0.56) POLBKMT2AMEN1TRPA1LMNA
SCHEMBL15519807 0.85 RAB9A (0.44) POLBKMT2AMEN1LMNARAB9A
SCHEMBL13833767 0.84 TRPA1 (0.49) POLBKMT2AMEN1TRPA1LMNA
SCHEMBL15801421 0.83 TRPA1 (0.51) POLBKMT2AMEN1TRPA1LMNA
SCHEMBL30552896 0.83 TRPA1 (0.48) POLBKMT2AMEN1TRPA1LMNA
SCHEMBL12877789 0.81 SMN1; SMN2 (0.54) POLBKMT2AMEN1TRPA1RAB9A
SCHEMBL15801417 0.81 KDM4E (0.49) POLBTRPA1SMN1; SMN2ALDH1A1THRB
SCHEMBL30552929 0.80 TRPA1 (0.53) POLBKMT2AMEN1TRPA1RAB9A
SCHEMBL30552837 0.80 TRPA1 (0.53) POLBKMT2AMEN1TRPA1RAB9A
SCHEMBL30552846 0.80 TRPA1 (0.53) POLBKMT2AMEN1TRPA1RAB9A

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
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 2343/4885KMT2A 1479/4885MEN1 2037/4885

“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.