SCHEMBL17734416

SCHEMBL17734416

Cc1nc(C)c(CNC(=O)c2cc(-c3ccc(C#N)nc3)cc3c2ccn3C2CCOCC2)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 19/20 0.44
▸ EED O75530 1/20 0.44
▸ SUZ12 Q15022 1/20 0.44
▸ PDE9A O76083 1/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ EZH1 Q92800 1/20 0.42

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
SCHEMBL23863704 0.88 PDE9A (0.46) EZH2EEDSUZ12PDE9A
SCHEMBL17734412 0.87 EZH2 (0.55) EZH2EEDSUZ12EZH1
SCHEMBL17734418 0.86 EZH2 (0.56) EZH2EEDSUZ12EZH1
SCHEMBL23863703 0.85 EZH2 (0.52) EZH2EEDSUZ12EZH1
SCHEMBL17734421 0.77 EZH2 (0.55) EZH2EEDSUZ12EZH1
SCHEMBL17734356 0.75 EZH2 (0.57) EZH2EEDSUZ12EZH1
SCHEMBL20621515 0.74 EZH2 (0.56) EZH2EEDSUZ12EZH1
SCHEMBL17734413 0.73 EZH2 (0.71) EZH2EEDSUZ12EZH1
SCHEMBL20621469 0.73 EZH2 (0.71) EZH2EEDSUZ12EZH1
SCHEMBL23863678 0.73 EZH1 (0.64) EZH2EEDSUZ12EZH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 — — US disclosed
EP-3885343-A1 INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 — — EP disclosed
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-03 — — US disclosed
WO-2016073903-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-05-12 — — WO disclosed
WO-2016073956-A1 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-05-12 — — 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 (2 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-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) BCL6, BCL6B, EZH2 EZH2 3/4885EED 58/4885SUZ12 40/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 EZH2 1/4885EED 5/4885SUZ12 7/4885

“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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