SCHEMBL1757777

SCHEMBL1757777

Cc1c(-c2nn(Cc3ccc(F)cc3)c(=O)c3ccccc23)c2ccccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.66
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL1757105 0.87 PTGDR2 (0.86) PTGDR2CYP2C9
SCHEMBL1757162 0.87 PTGDR2 (0.67) PTGDR2ALDH1A1
SCHEMBL1757693 0.84 PTGDR2 (0.62) PTGDR2AURKAKMT2ACYP2C9
SCHEMBL1757835 0.83 PTGDR2 (0.62) PTGDR2LMNACYP2C9
SCHEMBL1757855 0.83 PTGDR2 (0.62) PTGDR2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1757521 0.83 PTGDR2 (0.61) PTGDR2CYP2C9
SCHEMBL1758145 0.82 PTGDR2 (0.60) PTGDR2CYP2C9
SCHEMBL1757683 0.82 PTGDR2 (0.94) PTGDR2CYP2C9
SCHEMBL1757412 0.81 PTGDR2 (0.59) PTGDR2KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL1757889 0.81 PTGDR2 (0.59) PTGDR2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 PTGDR2 13/4885ALDH1A1 1069/4885NPSR1 21/4885

“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.