SCHEMBL23944977

SCHEMBL23944977

COC1CCc2c(C(C)(C)C)c3ccccc3n2C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
PTGDR2 Q9Y5Y4 15/20 0.33
PTGDR Q13258 5/20 0.33
TBXA2R P21731 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 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
SCHEMBL18239658 0.82 HTR2A (0.48) PER2CRY1CRY2KDM4EMAPT
SCHEMBL19960987 0.72 HTR2A (0.42) PER2KDM4EMAPTHTR2AHTR2C
SCHEMBL23944980 0.70 JAK3 (0.41) KDM4EMAPTPTGDR2PTGDRTBXA2R
SCHEMBL23944979 0.67 PTGDR2 (0.33) PTGDR2PTGDRTBXA2R
SCHEMBL19960980 0.66 HTR2A (0.36) KDM4EMAPTHTR2AHTR2C
SCHEMBL23944981 0.66 CHRM2 (0.30)
SCHEMBL19960979 0.65 HTR2A (0.38) PER2KDM4EMAPTHTR2AHTR2C
SCHEMBL19960988 0.63 PER2 (0.40) PER2CRY1CRY2KDM4EMAPT
SCHEMBL19960977 0.61 HTR2A (0.35) PER2CRY1CRY2KDM4EMAPT
SCHEMBL18239660 0.61 HTR2A (0.50) KDM4EMAPTPTGDR2PTGDRTBXA2R

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 PER2 4118/4885CRY1 4660/4885CRY2 4318/4885

“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.