SCHEMBL12840369

SCHEMBL12840369

CC(=O)Nc1ncc(-c2ccccc2)nc1CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
ADORA1 P30542 6/20 0.46
ADORA3 P0DMS8 4/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
STAT1 P42224 1/20 0.43
ATR Q13535 3/20 0.43
ADORA2A P29274 2/20 0.43
ADORA2B P29275 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL12838487 0.89 MTOR (0.44) ATRALDH1A1HPGDMEN1MAPT
SCHEMBL12839945 0.88 ADORA3 (0.47) IKBKBADORA1ADORA3TP53ADORA2A
SCHEMBL12840370 0.88 ADORA1 (0.56) IKBKBADORA1ADORA3NPC1RAB9A
SCHEMBL12839672 0.88 ATR (0.43) IKBKBATRMEN1KMT2AKDM4E
SCHEMBL12839647 0.85 FYN (0.47) ADORA3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL12840374 0.85 TMIGD3 (0.49) IKBKBADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL12840354 0.85 ADORA1 (0.53) IKBKBADORA1ADORA3NPC1RAB9A
SCHEMBL12840368 0.85 IKBKB (0.49) IKBKBADORA1ADORA3NPC1RAB9A
SCHEMBL12838998 0.83 IKBKB (0.47) IKBKBADORA1ADORA3NPC1RAB9A
SCHEMBL12839951 0.83 ABL1 (0.47) IKBKBADORA1ADORA3NPC1RAB9A

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-20110070656-A1 Fluorescent Proteins JNC CORPORATION (JP) 2011-03-24 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-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.