SCHEMBL29445971

SCHEMBL29445971

O=c1[nH]c2ccc(-c3ccncn3)cc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.63
PDE3A Q14432 3/20 0.63
GRIA1 P42261 4/20 0.49
CACNG8 Q8WXS5 4/20 0.49
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
CDC25C P30307 1/20 0.42
DUSP3 P51452 1/20 0.42
GSK3B P49841 3/20 0.41
PIK3CD O00329 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
HCK P08631 1/20 0.41
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41

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
SCHEMBL31192609 0.78 PDE3B (1.00) PDE3BPDE3AGRIA1CACNG8CDC7
SCHEMBL29445912 0.76 PDE3B (0.67) PDE3BPDE3AGRIA1CACNG8GSK3B
SCHEMBL26613863 0.74 ALDH1A1 (0.49) GSK3BEGFRCAMKK2MAPTMAPK9
SCHEMBL30633622 0.74 ALDH1A1 (0.49) GSK3BEGFRCAMKK2MAPTMAPK9
SCHEMBL29445939 0.72 CYP17A1 (0.55) ABL1
SCHEMBL29445919 0.72 BRAF (0.47) ADORA2AADORA2BADORA1PIK3CDABL1
SCHEMBL9903935 0.72 CYP2D6 (0.60) GSK3BEGFRCAMKK2MAPTMAPK13
SCHEMBL31690863 0.72 JAK2 (0.65) GSK3BKDRCDC7DYRK1AMAPK13
SCHEMBL10843819 0.71 MAPT (0.46) ADORA2BGSK3BEGFRCAMKK2CDC7
SCHEMBL29445972 0.71 PDPK1 (0.48) ADORA2AADORA2BGSK3BKDRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-18 US disclosed
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-06-09 US disclosed
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-02-08 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 (3 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-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 PDE3B 235/4885PDE3A 302/4885GRIA1 329/4885
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 PDE3B 235/4885PDE3A 302/4885GRIA1 329/4885
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 PDE3B 235/4885PDE3A 302/4885GRIA1 329/4885

“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.