SCHEMBL12377837

SCHEMBL12377837

Cc1cccc(-c2nn(CC(=O)N3CCOCC3)c(=O)o2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
LMNA P02545 3/20 0.56
GRIN2B Q13224 5/20 0.52
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MITF O75030 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL12377833 0.81 GAA (0.47) RAB9ANPC1GRIN2BMAPTTP53
SCHEMBL12377836 0.78 GAA (0.45) RAB9ANPC1LMNAGRIN2BMAPT
SCHEMBL12377835 0.78 GRIN2B (0.50) RAB9ANPC1GRIN2BMAPTSMN1; SMN2
SCHEMBL12377822 0.76 IL2 (0.49) RAB9ANPC1GRIN2BMAPTTP53
SCHEMBL12377825 0.75 GRIN1 (0.47) RAB9ANPC1GRIN2BMAPTTP53
SCHEMBL12377830 0.74 NOTUM (0.45) RAB9ANPC1GRIN2BMAPTTP53
SCHEMBL12377838 0.74 GAA (0.43) RAB9ANPC1LMNAMAPTTP53
SCHEMBL12377824 0.73 NOTUM (0.47) RAB9ANPC1LMNAGRIN2BMAPT
SCHEMBL12377829 0.73 GRIN1 (0.47) RAB9ANPC1GRIN2BTP53SMN1; SMN2
SCHEMBL12377834 0.72 GRIN1 (0.43) RAB9ANPC1GRIN2BMAPTTP53

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 RAB9A 2645/4885NPC1 1132/4885LMNA 2244/4885

“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.