SCHEMBL2576335

SCHEMBL2576335

COC(=O)COc1ccc(Cl)c2[nH]c(=O)c(Cc3ccc(-n4cccn4)cc3)c(C)c12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
RORC P51449 7/20 0.39
CHRM1 P11229 6/20 0.38
SCN9A Q15858 2/20 0.36
EGLN1 Q9GZT9 1/20 0.36
GHSR Q92847 1/20 0.36
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
KLKB1 P03952 1/20 0.34

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
SCHEMBL2571339 0.90 PTGDR2 (0.50) PTGDR2RORCCHRM1EGLN1GHSR
SCHEMBL2573441 0.85 PTGDR2 (0.46) PTGDR2RORCCHRM1SCN9AEGLN1
SCHEMBL2571350 0.85 PTGDR2 (0.43) PTGDR2RORCGHSRJAK2
SCHEMBL27801736 0.85 RORC (0.38) PTGDR2RORCCHRM1SCN9A
SCHEMBL3772138 0.84 ALDH1A1 (0.41) JAK2
SCHEMBL3778704 0.84 LMNA (0.38) PTGDR2
SCHEMBL3351455 0.84 PTGDR2 (0.43) PTGDR2RORCCHRM1SCN9AKLKB1
SCHEMBL2573787 0.82 RORC (0.42) PTGDR2RORCCHRM1SCN9A
SCHEMBL2568427 0.82 RORC (0.48) PTGDR2RORC
SCHEMBL2574623 0.81 PTGDR2 (0.46) PTGDR2RORCSCN9AKLKB1

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 8 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
WO-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO 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 111/4885CHRM1 5/4885
US-20120184579-A1 Quinolines and Their Therapeutic Use HRH1, CHRM2, CHRM3 PTGDR2 316/4885RORC 118/4885CHRM1 6/4885

“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.