SCHEMBL17549887

SCHEMBL17549887

CC1(C)O[C@@H]2[C@@H](CN=[N+]=[N-])C[C@@H](n3cc(C(F)(F)F)c4c(N=[N+]=[N-])ncnc43)[C@@H]2O1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 4/20 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
SCHEMBL17302256 0.80 PRMT5 (0.30) —
SCHEMBL17549898 0.75 PRMT5 (0.38) ADK
SCHEMBL17549901 0.74 HTR2B (0.33) ADK
SCHEMBL17549902 0.74 HTR2B (0.38) ADK
SCHEMBL15381061 0.72 AHCY (0.38) ADK
SCHEMBL15381065 0.71 NNMT (0.35) ADK
SCHEMBL17302255 0.71 PRMT5 (0.41) —
SCHEMBL23120133 0.70 PRMT5 (0.42) ADK
SCHEMBL17302276 0.68 PRMT5 (0.34) ADK
SCHEMBL17936459 0.68 PRMT5 (0.34) ADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458165-B2 DOT1L inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-04 — — US disclosed
US-9458165-B2 DOT1L inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-04 — — US disclosed
US-20160060269-A1 DOT1L Inhibitors DANA-FARBER CANCER INSTITUTE, INC. 2016-03-03 — — US disclosed
US-20160060269-A1 DOT1L Inhibitors DANA-FARBER CANCER INSTITUTE, INC. 2016-03-03 — — 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-20160060269-A1 DOT1L Inhibitors DOT1L, MAP1LC3B, MAP1LC3A ADK 4009/4885

“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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