SCHEMBL23944979

SCHEMBL23944979

CC(C)(C)c1c2n(c3ccccc13)C(CC(C)(C)c1c3n(c4ccccc14)CC(O)CC3)CCC2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.33
PTGDR Q13258 6/20 0.32
JAK3 P52333 1/20 0.31
TBXA2R P21731 2/20 0.31

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
SCHEMBL18239660 0.67 HTR2A (0.50) PTGDR2PTGDRJAK3TBXA2R
SCHEMBL23944977 0.67 PER2 (0.36) PTGDR2PTGDRTBXA2R
SCHEMBL19960987 0.67 HTR2A (0.42)
SCHEMBL19960981 0.65 HTR2A (0.41)
SCHEMBL23944980 0.65 JAK3 (0.41) PTGDR2PTGDRJAK3TBXA2R
SCHEMBL21028076 0.59 KDM4E (0.42) PTGDRTBXA2R
SCHEMBL19960986 0.58 PER2 (0.36)
SCHEMBL19960980 0.56 HTR2A (0.36)
SCHEMBL23944981 0.56 CHRM2 (0.30)
SCHEMBL9383105 0.55 PRKD3 (0.67)

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-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2021-10-21 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-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 PTGDR2 1402/4885PTGDR 1416/4885JAK3 331/4885

“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.