SCHEMBL2570536

SCHEMBL2570536

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.56
RORC P51449 10/20 0.36
CCNE1 P24864 5/20 0.35
CDK2 P24941 5/20 0.35
KDM4E B2RXH2 1/20 0.35
JAK2 O60674 1/20 0.35
CHRM1 P11229 1/20 0.34
USP1 O94782 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
SCHEMBL2573604 0.92 PTGDR2 (0.66) PTGDR2RORCCCNE1CDK2USP1
SCHEMBL2574623 0.91 PTGDR2 (0.46) PTGDR2RORCCCNE1CDK2USP1
SCHEMBL2574616 0.89 PTGDR2 (0.69) PTGDR2RORCCCNE1CDK2KDM4E
SCHEMBL2575061 0.89 PTGDR2 (0.56) PTGDR2RORC
SCHEMBL2568426 0.88 PTGDR2 (0.62) PTGDR2RORCCHRM1KLKB1
SCHEMBL2570380 0.87 PTGDR2 (0.55) PTGDR2RORCCHRM1USP1
SCHEMBL2572235 0.82 PTGDR2 (0.54) PTGDR2RORCCCNE1CDK2CHRM1
SCHEMBL2568510 0.82 PTGDR2 (0.46) PTGDR2RORCCCNE1CDK2USP1
SCHEMBL2573186 0.81 PTGDR2 (0.65) PTGDR2RORC
SCHEMBL2568500 0.81 PTGDR2 (0.81) PTGDR2RORCCCNE1CDK2USP1

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 111/4885CCNE1 1017/4885
US-20120184579-A1 Quinolines and Their Therapeutic Use HRH1, CHRM2, CHRM3 PTGDR2 316/4885RORC 118/4885CCNE1 1104/4885

“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.