SCHEMBL21397356

SCHEMBL21397356

CC(C)c1cncc(CC(C)c2c[nH]cn2)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 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
SCHEMBL18811782 0.74 ESR1 (0.37) ESR1ESR2
SCHEMBL21076444 0.73 ESR1 (0.42) ESR1ESR2
SCHEMBL12120613 0.72 GABRA1 (0.33) ESR1
SCHEMBL22895111 0.71 NR3C2 (0.41) ESR1ESR2
SCHEMBL21076611 0.71 ESR1 (0.37) ESR1ESR2
SCHEMBL23758345 0.70 ALDH1A1 (0.34) ESR1ESR2
SCHEMBL18763535 0.70 LMNA (0.42) ESR1ESR2
SCHEMBL18683654 0.69 NR3C2 (0.46) ESR1ESR2
SCHEMBL23758353 0.69 CYP3A4 (0.36) ESR1ESR2
SCHEMBL19831132 0.69 GPR55 (0.35) ESR1ESR2

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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 — — 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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK17 ESR1 2273/4885ESR2 2783/4885

“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.

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