SCHEMBL2053009

SCHEMBL2053009

Oc1ccc2nc(-c3ccc[nH]3)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.55
CHEK1 O14757 1/20 0.52
PRKD3 O94806 1/20 0.52
PAK4 O96013 1/20 0.52
PDGFRA P16234 1/20 0.52
LTK P29376 1/20 0.52
MAP2K2 P36507 1/20 0.52
MAPK8 P45983 1/20 0.52
CDK8 P49336 1/20 0.52
RPS6KA3 P51812 1/20 0.52
PRKX P51817 1/20 0.52
NEK2 P51955 1/20 0.52
LIMK1 P53667 1/20 0.52
CDK5 Q00535 1/20 0.52
PRKCQ Q04759 1/20 0.52
MAP4K2 Q12851 1/20 0.52
ROCK1 Q13464 1/20 0.52
LRRK2 Q5S007 1/20 0.52
TAOK1 Q7L7X3 1/20 0.52
AURKB Q96GD4 1/20 0.52

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
SCHEMBL2053008 0.88 AMY1A (0.41) CBFBCHEK1PRKD3PAK4PDGFRA
SCHEMBL8190402 0.81 ESR1 (0.62) PLAUAMY1AF2F10PLG
SCHEMBL2048080 0.78 NPC1 (0.64) AURKBGAAPKMTSHRNPC1
SCHEMBL21976219 0.78 CYP2A6 (0.44) CBFBGAAF2F10NPBWR1
SCHEMBL20088846 0.76 HDAC6 (0.64)
SCHEMBL1803420 0.76 ESR1 (0.70) PKMESR1KDM4EMEN1ALDH1A1
SCHEMBL21018195 0.76 CHEK1 (0.81) CBFBCHEK1PRKD3PAK4PDGFRA
Bromide SCHEMBL3194129 0.74 ALDH1A1 (0.49) GAADGAT1NPC1KDM4EMEN1
Hydrochloric Acid SCHEMBL3203756 0.74 ALDH1A1 (0.49) GAADGAT1NPC1KDM4EMEN1
SCHEMBL3195220 0.72 SMN1; SMN2 (0.45) RPS6KA3AURKBGAAPKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727808-B3 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2013-01-09 EP disclosed
US-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2011-06-30 US disclosed
EP-1727808-B1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2008-11-12 EP disclosed
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers SPIROGEN LIMITED (GB) 2007-10-25 US disclosed
EP-1727808-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS Spirogen Limited (GB) 2006-12-06 EP disclosed
WO-2005085177-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2005-09-15 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 (2 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-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS PCNA, POLL, XPA CBFB 51/4885CHEK1 718/4885PRKD3 3296/4885
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers PCNA, POLL, DNA2 CBFB 48/4885CHEK1 686/4885PRKD3 3254/4885

“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.