SCHEMBL12377868

SCHEMBL12377868

Cc1cccc(-c2nc(C(=O)NCC#N)c(C)o2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.54
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
TP53 P04637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 3/20 0.45
CTSB P07858 1/20 0.44
USP2 O75604 1/20 0.43
ALOX15 P16050 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
SCHEMBL12377867 0.79 HDAC1 (0.51) ALDH1A1MEN1KMT2AMAPK1CTSV
SCHEMBL11621589 0.77 SLC9A1 (0.66) SLC9A1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL11623795 0.71 GAA (0.60) SLC9A1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL11623824 0.71 KDM4E (0.60) SLC9A1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL23367955 0.70 CTSL (0.64) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL11625061 0.70 TARBP2 (0.64) ALDH1A1SMN1; SMN2GAAMAPTMEN1
SCHEMBL11620390 0.70 MAPT (0.64) SLC9A1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL28062090 0.70 KDM4E (0.58) SLC9A1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL11619063 0.70 KDM4E (0.65) SLC9A1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL22549565 0.69 KDM4E (0.59) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A

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 SLC9A1 586/4885ALDH1A1 407/4885SMN1; SMN2 3525/4885

“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.