SCHEMBL2473215

SCHEMBL2473215

CC(C)(C)OC(=O)N1CCc2c(-c3cc(Cl)c(OCc4ccccc4)cc3OCc3ccccc3)n[nH]c2C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.42
PTGDR2 Q9Y5Y4 7/20 0.40
P2RX3 P56373 1/20 0.40
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
CCNA1 P78396 1/20 0.39
TLR9 Q9NR96 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
ESR2 Q92731 1/20 0.39
SUV39H2 Q9H5I1 2/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL2471112 0.82 TLR9 (0.37) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL2472571 0.80 ESR2 (0.46) P2RX7ESR2
SCHEMBL4492498 0.79 TLR9 (0.47) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL23684873 0.77 ESR2 (0.57) TLR9TLR7ESR2
SCHEMBL2469737 0.75 ACHE (0.41)
SCHEMBL23683967 0.75 PTGDR2 (0.49) PTGDR2ESR2
SCHEMBL2075858 0.74 HTR2C (0.54) P2RX3TLR9TLR7KITFLT3
SCHEMBL22204580 0.73 P2RX3 (0.46) P2RX7P2RX3ESR2
SCHEMBL29444909 0.73 P2RX3 (0.46) P2RX7P2RX3ESR2
SCHEMBL1337705 0.73 PARP1 (0.41) P2RX7ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370437-B1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-09-04 EP disclosed
US-8309578-B2 Bicyclic pyrazole and isoxazole derivatives as antitumor and antineurodegenerative agents NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-11-13 US disclosed
US-20110294790-A1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-12-01 US disclosed
EP-2370437-A1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS Nerviano Medical Sciences S.r.l. (IT) 2011-10-05 EP disclosed
WO-2010060854-A1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-06-03 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-20110294790-A1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS HSP90AB1, HSP90AA1, HSP90AB2P P2RX7 356/4885PTGDR2 2362/4885P2RX3 386/4885

“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.