SCHEMBL19164022

SCHEMBL19164022

CC(C)Oc1nc(NC2COC2)cc(C(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 1/20 0.35
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ HMGCR P04035 1/20 0.32
▸ PTGS1 P23219 2/20 0.31
▸ RXRA P19793 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ PTGS2 P35354 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
SCHEMBL17300780 0.85 HRH4 (0.42) CCNT1CDK9
SCHEMBL17300778 0.84 HRH3 (0.34) MAP3K12CCNT1CDK9PTGS1PTGS2
SCHEMBL19171756 0.82 CCNT1 (0.35) MAP3K12CCNT1CDK9RXRAGRIN1
SCHEMBL17300768 0.80 CCNT1 (0.38) MAP3K12CCNT1CDK9
SCHEMBL17300831 0.77 PTGS2 (0.32) CCNT1CDK9PTGS2
SCHEMBL17306680 0.77 CCNT1 (0.32) CCNT1CDK9
SCHEMBL17300821 0.77 HMGCR (0.33) CCNT1CDK9HMGCR
SCHEMBL17300783 0.76 CCNT1 (0.33) CCNT1CDK9HMGCR
SCHEMBL17300790 0.75 PDE4A (0.40) CCNT1CDK9PTGS2
SCHEMBL17300802 0.74 HRH4 (0.42) CCNT1CDK9

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-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 — — 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-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 MAP3K12 1295/4885CCNT1 1352/4885CDK9 292/4885

“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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