SCHEMBL12377838

SCHEMBL12377838

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
MAPT P10636 5/20 0.41
IL2 P60568 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL12377836 0.85 GAA (0.45) GAAMAPTIL2LMNAALDH1A1
SCHEMBL12377833 0.81 GAA (0.47) GAAMAPTIL2ALDH1A1TSHR
SCHEMBL12377829 0.80 GRIN1 (0.47) GAAIL2ALDH1A1POLBTSHR
SCHEMBL12377834 0.79 GRIN1 (0.43) GAAMAPTIL2ALDH1A1MEN1
SCHEMBL12377835 0.78 GRIN2B (0.50) GAAMAPTIL2TSHRNPSR1
SCHEMBL12377822 0.76 IL2 (0.49) GAAMAPTIL2ALDH1A1POLB
SCHEMBL12377825 0.75 GRIN1 (0.47) GAAMAPTIL2ALDH1A1POLB
SCHEMBL12377830 0.74 NOTUM (0.45) GAAMAPTIL2ALDH1A1POLB
SCHEMBL12377837 0.74 RAB9A (0.58) MAPTLMNAALDH1A1MEN1MAPK1
SCHEMBL12377828 0.71 GRIN1 (0.46) GAAIL2TSHRKDM4ESMN1; SMN2

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 1762/4885MAPT 4573/4885IL2 2525/4885

“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.