SCHEMBL12377833

SCHEMBL12377833

CC(=O)Cn1nc(-c2cccc(C)c2)oc1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
NOTUM Q6P988 1/20 0.45
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
IL2 P60568 1/20 0.41
PAFAH1B2 P68402 1/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PBRM1 Q86U86 1/20 0.39

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
SCHEMBL12377835 0.86 GRIN2B (0.50) GAANOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL12377836 0.86 GAA (0.45) GAANOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL12377822 0.83 IL2 (0.49) GAANOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL12377825 0.83 GRIN1 (0.47) GAANOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL12377834 0.82 GRIN1 (0.43) GAANOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL12377838 0.81 GAA (0.43) GAANOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL12377837 0.81 RAB9A (0.58) NPC1RAB9ASMN1; SMN2GRIN2BMAPT
SCHEMBL12377829 0.80 GRIN1 (0.47) GAANOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL12377830 0.79 NOTUM (0.45) GAANOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL12377824 0.78 NOTUM (0.47) NOTUMNPC1RAB9ASMN1; SMN2HPGD

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-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 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-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D GAA 1762/4885NOTUM 3182/4885NPC1 1132/4885

“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.