SCHEMBL12839082

SCHEMBL12839082

CC(=O)Nc1ncc(-c2ccc(F)cc2)nc1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.46
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 1/20 0.43
GSK3B P49841 1/20 0.42
MAPK14 Q16539 1/20 0.42
SCN9A Q15858 1/20 0.41
IKBKB O14920 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CA P42336 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
ADORA1 P30542 1/20 0.39
HPGD P15428 3/20 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
SCHEMBL12838998 0.92 IKBKB (0.47) ATRADORA3ADORA2AIKBKBTP53
SCHEMBL12840008 0.90 ATR (0.45) ATRADORA3ADORA2AGSK3BMAPK14
SCHEMBL1354249 0.89 MTOR (0.45) ATRADORA3IKBKBLMNAPIK3CA
SCHEMBL12839223 0.88 ATR (0.45) ATRADORA3IKBKBLMNAPIK3CA
SCHEMBL13247622 0.88 ADORA3 (0.46) ATRADORA3IKBKBLMNAPIK3CA
SCHEMBL12838499 0.87 ATR (0.47) ATRADORA3ADORA2ALMNASMN1; SMN2
SCHEMBL13247623 0.86 NOX1 (0.41) ATRADORA3IKBKBLMNATP53
SCHEMBL1354165 0.86 PRKDC (0.49) ATRADORA3LMNASMN1; SMN2ALDH1A1
SCHEMBL12839084 0.86 ADORA1 (0.46) ATRADORA3ADORA2ASMN1; SMN2ALDH1A1
SCHEMBL1354168 0.85 GAA (0.44) ATRADORA3IKBKBSMN1; SMN2PIK3CA

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-20110070656-A1 Fluorescent Proteins JNC CORPORATION (JP) 2011-03-24 US disclosed
WO-2010090318-A1 COELENTERAMIDE ANALOGS チッソ株式会社 (JP) 2010-08-12 WO 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-20110070656-A1 Fluorescent Proteins CACYBP, CHLSN, LCP2 ATR 4783/4885ADORA3 3943/4885ADORA2A 3596/4885

“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.