SCHEMBL972069

SCHEMBL972069

Cc1nn(C)c(CN)c1C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
PKM P14618 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
Ammonia Solution, Strong SCHEMBL3404011 0.98 KDM4E (0.33) KDM4EGAAADORA2AADORA2BPKM
SCHEMBL2612158 0.80 GAA (0.40) KDM4EGAAADORA2AADORA2BALDH1A1
SCHEMBL971496 0.76 KDM4E (0.34) KDM4EGAAADORA2AADORA2BALDH1A1
SCHEMBL25944182 0.76 ADORA2A (0.32) KDM4EADORA2AADORA2B
SCHEMBL27880863 0.76 ADORA2A (0.32) KDM4EADORA2AADORA2B
SCHEMBL14496271 0.76 GAA (0.33) KDM4EGAAADORA2AADORA2BALDH1A1
SCHEMBL13438130 0.73 TKT (0.43) KDM4EGAAADORA2AADORA2BALDH1A1
SCHEMBL22253434 0.71 KDM4E (0.30) KDM4E
SCHEMBL2373276 0.70 PKM (0.61) KDM4EPKMALDH1A1MAPT
SCHEMBL22547319 0.67 LTB4R (0.44) KDM4EALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015065-A1 Substituted Sulfonic Acid Amide Compounds BASF SE (DE) 2011-01-20 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-20110015065-A1 Substituted Sulfonic Acid Amide Compounds STS, NAPA, NAAA KDM4E 3294/4885GAA 780/4885ADORA2A 2148/4885

“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.