SCHEMBL17623867

SCHEMBL17623867

CC(C)Oc1ncc2c(n1)CN(C)C2

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 13/20 0.45
▸ HSP90B1 P14625 8/20 0.45
▸ LRRK2 Q5S007 1/20 0.30
▸ ATR Q13535 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
SCHEMBL19505307 0.84 HSP90AA1 (0.43) HSP90AA1HSP90B1
SCHEMBL19505305 0.81 HSP90AA1 (0.42) HSP90AA1HSP90B1
SCHEMBL19498161 0.81 HSP90AA1 (0.42) HSP90AA1HSP90B1
SCHEMBL12840038 0.81 HSP90AA1 (0.40) HSP90AA1HSP90B1
SCHEMBL12840947 0.76 HSP90AA1 (0.39) HSP90AA1HSP90B1
SCHEMBL12840807 0.74 HSP90AA1 (0.36) HSP90AA1HSP90B1
SCHEMBL17623871 0.74 HSP90AA1 (0.45) HSP90AA1HSP90B1
SCHEMBL10280068 0.71 HSP90AA1 (0.43) HSP90AA1HSP90B1
SCHEMBL17624119 0.70 HSP90AA1 (0.40) HSP90AA1
SCHEMBL17623870 0.70 HSP90AA1 (0.48) HSP90AA1LRRK2

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 783/4885LRRK2 444/4885

“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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