SCHEMBL17623871

SCHEMBL17623871

COCCOc1ncc2c(n1)CN(C)C2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 10/20 0.45
▸ HSP90B1 P14625 6/20 0.45
▸ PRKCB P05771 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ CYP1A2 P05177 3/20 0.33
▸ TIPARP Q7Z3E1 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL12840807 0.84 HSP90AA1 (0.36) HSP90AA1HSP90B1TIPARP
SCHEMBL19498166 0.82 HSP90AA1 (0.42) HSP90AA1HSP90B1TIPARP
SCHEMBL17623869 0.82 HSP90AA1 (0.43) HSP90AA1HSP90B1MEN1KMT2A
SCHEMBL12840038 0.82 HSP90AA1 (0.40) HSP90AA1HSP90B1CYP1A2ALDH1A1MEN1
SCHEMBL12840031 0.78 CHRM2 (0.37) —
SCHEMBL12840947 0.77 HSP90AA1 (0.39) HSP90AA1HSP90B1
SCHEMBL17624126 0.75 TIPARP (0.50) KDM1ATIPARPMEN1KMT2A
SCHEMBL17623867 0.74 HSP90AA1 (0.45) HSP90AA1HSP90B1
SCHEMBL31598280 0.72 HTR2C (0.46) HSP90AA1HSP90B1
SCHEMBL8222559 0.71 HSP90AA1 (0.50) HSP90AA1HSP90B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-26 — — US disclosed
WO-2016044604-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 — — WO 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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PRMT1 HSP90AA1 1748/4885HSP90B1 783/4885PRKCB 354/4885

“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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