SCHEMBL12377812

SCHEMBL12377812

CCNC(=O)c1nc(-c2cccc(C)c2)no1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
THRB P10828 2/20 0.55
GAA P10253 1/20 0.54
KMT2A Q03164 3/20 0.54
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
GSK3B P49841 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL12377814 0.85 GAA (0.54) MAPTTHRBGAAKMT2ATSHR
SCHEMBL30129915 0.84 MAPT (0.61) MAPTGAAKMT2APOLB
SCHEMBL12377818 0.80 RAB9A (0.56) MAPTTHRBGAAKMT2ATSHR
SCHEMBL28816445 0.77 SMPD1 (0.57) MAPTTHRBGAAKMT2ATSHR
SCHEMBL12377816 0.77 TP53 (0.51) MAPTTHRBGAAKMT2ATSHR
SCHEMBL15107383 0.76 HAVCR2 (0.53) MAPTTHRBKMT2ATSHRMEN1
SCHEMBL44764 0.76 GAA (0.44) MAPTTHRBGAAKMT2ALMNA
SCHEMBL15107381 0.76 POLB (0.59) MAPTTHRBGAAKMT2ATSHR
SCHEMBL15107380 0.75 ALDH1A1 (0.53) MAPTTHRBKMT2ATSHRMEN1
SCHEMBL13447650 0.74 KMT2A (0.48) MAPTTHRBKMT2ATSHRLMNA

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 2 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-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 MAPT 4573/4885THRB 2232/4885GAA 1762/4885

“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.