SCHEMBL4263569

SCHEMBL4263569

Cc1cccc(-c2ccc3ncc(=O)[nH]c3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
NPBWR1 P48145 1/20 0.46
MAP4K4 O95819 1/20 0.43
XDH P47989 1/20 0.43
TNKS2 Q9H2K2 2/20 0.43
MAP3K8 P41279 1/20 0.42
DHODH Q02127 1/20 0.42
PBRM1 Q86U86 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
RPS6KA3 P51812 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41

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
SCHEMBL2619124 0.82 MAPKAPK2 (0.50) MAPKAPK2RPS6KA3CSNK2A1PLK3NPC1
SCHEMBL13680581 0.75 RAB9A (0.59) ABL1NPBWR1DHODHNPC1RAB9A
SCHEMBL13680531 0.75 QPCT (0.60) MAP4K4MAP3K8NPC1RAB9AQPCT
SCHEMBL21905249 0.74 DHODH (0.58) ABL1NPBWR1DHODHNPC1RAB9A
SCHEMBL23600955 0.73 BRD4 (0.52) MAP3K8GRIN1GRIN2BQPCTQPCTL
SCHEMBL4135331 0.73 CA12 (0.46) MAPKAPK2RPS6KA3CSNK2A1PLK3
SCHEMBL2619271 0.73 RPS6KA3 (0.64) MAPKAPK2RPS6KA3CSNK2A1PLK3NPC1
SCHEMBL2938584 0.72 TNKS (0.57) MAP4K4TNKS2
SCHEMBL21317915 0.72 TNKS2 (0.57) ABL1NPBWR1TNKS2MAPKAPK2RPS6KA3
SCHEMBL8264638 0.71 GRIA1 (0.65) DHODHGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US claimed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US disclosed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR5A1, ESRRA, NR3C1 ABL1 3745/4885NPBWR1 1146/4885MAP4K4 1331/4885

“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.