SCHEMBL21064102

SCHEMBL21064102

CCc1cc(NC2COC2)nc(C(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ ESR1 P03372 1/20 0.36
▸ MAP3K12 Q12852 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL19957822 0.81 ESR1 (0.33) CCNT1CDK9ESR1MAP3K12HRH3
SCHEMBL15830325 0.81 CCNT1 (0.49) CCNT1CDK9MAP3K12HRH3
SCHEMBL17303780 0.81 CCNT1 (0.40) CCNT1CDK9MAP3K12
SCHEMBL19957555 0.77 CCNT1 (0.33) CCNT1CDK9ESR1MAP3K12HRH3
SCHEMBL17300768 0.77 CCNT1 (0.38) CCNT1CDK9MAP3K12
SCHEMBL17383741 0.77 ESR1 (0.31) CCNT1CDK9ESR1HRH3
SCHEMBL15834078 0.77 RXRA (0.32) CCNT1CDK9ESR1HRH3
SCHEMBL15834104 0.77 PRMT5 (0.37) ESR1
SCHEMBL20252401 0.75 CCNT1 (0.36) CCNT1CDK9MAP3K12
SCHEMBL15834093 0.74 CCNT1 (0.46) CCNT1CDK9HRH3

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-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2019-06-04 — — 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-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 CCNT1 2718/4885CDK9 398/4885ESR1 4409/4885

“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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