SCHEMBL2571346

SCHEMBL2571346

COC(=O)COc1ccc(Cl)c2nc(C(C)C)c(Cc3ccc(-n4cccn4)cc3)c(OC(F)F)c12

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.58
RORC P51449 15/20 0.35
USP1 O94782 3/20 0.34
SCN9A Q15858 1/20 0.34
ADRA2B P18089 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
NR1H3 Q13133 1/20 0.33
NR1I3 Q14994 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL2571383 0.93 PTGDR2 (0.68) PTGDR2RORCUSP1SCN9A
SCHEMBL2574616 0.92 PTGDR2 (0.69) PTGDR2RORCUSP1
SCHEMBL2576623 0.90 PTGDR2 (0.73) PTGDR2RORCUSP1SCN9AADRA2B
SCHEMBL2574623 0.89 PTGDR2 (0.46) PTGDR2RORCUSP1SCN9AADRA2B
SCHEMBL2573811 0.85 PTGDR2 (0.52) PTGDR2RORCADRA2BPPARGPPARD
SCHEMBL2582465 0.84 PTGDR2 (0.48) PTGDR2RORCUSP1SCN9A
SCHEMBL2568500 0.84 PTGDR2 (0.81) PTGDR2RORCUSP1
SCHEMBL3785522 0.83 PTGDR2 (0.38) PTGDR2RORC
SCHEMBL2571352 0.82 PTGDR2 (0.84) PTGDR2RORCUSP1SCN9AADRA2B
SCHEMBL2574676 0.81 PTGDR2 (0.86) PTGDR2RORCUSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394830-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2013-03-12 US disclosed
US-20120184579-A1 Quinolines and Their Therapeutic Use GB005, INC. 2012-07-19 US disclosed
US-8173812-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2012-05-08 US disclosed
EP-2139881-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2011-11-09 EP disclosed
US-20100144787-A1 Quinolines and Their Therapeutic Use GB005, INC. 2010-06-10 US disclosed
EP-2139881-A1 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Oral Therapeutics Limited (GB) 2010-01-06 EP disclosed
WO-2008122784-A1 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2008-10-16 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-20100144787-A1 Quinolines and Their Therapeutic Use CHRM3, CHRM2, HRH1 PTGDR2 301/4885RORC 111/4885USP1 3429/4885
US-20120184579-A1 Quinolines and Their Therapeutic Use HRH1, CHRM2, CHRM3 PTGDR2 316/4885RORC 118/4885USP1 3394/4885

“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.