SCHEMBL1758070

SCHEMBL1758070

Cc1c(-c2nnc(O)c3ccccc23)c2ccccc2n1CC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.43
ALDH1A1 P00352 6/20 0.41
MAPK1 P28482 1/20 0.40
STAT3 P40763 1/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
PDE9A O76083 1/20 0.35
PDE1C Q14123 1/20 0.35
MYLK Q15746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL1757879 0.85 PTGDR2 (0.43) PTGDR2ALDH1A1MAPK1STAT3KDM4E
SCHEMBL1759392 0.82 PTGDR2 (0.62) PTGDR2ALDH1A1MAPK1STAT3KDM4E
SCHEMBL11711942 0.77 KDM4E (0.49) PTGDR2ALDH1A1MAPK1STAT3KDM4E
SCHEMBL1757859 0.74 PTGDR2 (0.76) PTGDR2ALDH1A1LMNAL3MBTL1CYP1A2
SCHEMBL1759164 0.73 PTGDR2 (0.61) PTGDR2
SCHEMBL1757715 0.72 PTGDR2 (0.66) PTGDR2
SCHEMBL11604949 0.72 KDM4E (0.71) ALDH1A1MAPK1STAT3KDM4ENPC1
SCHEMBL1759190 0.71 PTGDR2 (0.68) PTGDR2
SCHEMBL1757732 0.70 PTGDR2 (0.58) PTGDR2MEN1KMT2A
SCHEMBL1757478 0.69 PTGDR2 (0.46) PTGDR2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
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 1069/4885MAPK1 2487/4885

“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.