SCHEMBL12840368

SCHEMBL12840368

CCc1nc(-c2ccccc2)cnc1NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.49
ADORA1 P30542 5/20 0.49
ADORA3 P0DMS8 4/20 0.49
ABL1 P00519 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
STAT1 P42224 1/20 0.46
ADORA2B P29275 2/20 0.46
ADORA2A P29274 2/20 0.46
ATR Q13535 4/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL12839951 0.89 ABL1 (0.47) IKBKBADORA1ADORA3ABL1NPC1
SCHEMBL12838909 0.88 MAPK1 (0.46) ADORA3ATRALDH1A1KDM4EHPGD
SCHEMBL12839939 0.86 ADORA3 (0.50) IKBKBADORA1ADORA3ABL1NPC1
SCHEMBL12839148 0.86 ADORA3 (0.48) ADORA1ADORA3ABL1NPC1RAB9A
SCHEMBL12840508 0.86 PIK3CA (0.46) IKBKBADORA3ATRALDH1A1KDM4E
SCHEMBL12838998 0.86 IKBKB (0.47) IKBKBADORA1ADORA3ABL1NPC1
SCHEMBL12840369 0.85 IKBKB (0.46) IKBKBADORA1ADORA3ABL1NPC1
SCHEMBL12839929 0.85 IKBKB (0.46) IKBKBADORA1ADORA3ABL1NPC1
SCHEMBL12840367 0.84 TMIGD3 (0.52) IKBKBNPC1RAB9AMEN1KMT2A
SCHEMBL12838956 0.84 ADORA3 (0.50) ADORA3ABL1RAB9ASMN1; SMN2ADORA2B

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
EP-1666488-B1 FLUORESCENT PROTEIN CHISSO CORP (JP) 2010-11-17 EP 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 IKBKB 4405/4885ADORA1 3993/4885ADORA3 3943/4885

“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.