SCHEMBL16129012

SCHEMBL16129012

CNCCN(C)Cc1c[nH]nc1-c1ccc(OCCOC)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.39
▸ AR P10275 2/20 0.38
▸ PRMT1 Q99873 9/20 0.36
▸ CARM1 Q86X55 4/20 0.36
▸ PRMT6 Q96LA8 1/20 0.35
▸ PRMT8 Q9NR22 1/20 0.35
▸ PDE3B Q13370 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ CTSS P25774 2/20 0.34
▸ CTSK P43235 2/20 0.34

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
SCHEMBL16129006 0.95 S1PR1 (0.39) S1PR1ARPRMT1CARM1PRMT6
SCHEMBL16129025 0.91 PDE3B (0.41) S1PR1PRMT1CARM1PRMT6PRMT8
SCHEMBL16128987 0.89 S1PR1 (0.38) S1PR1PRMT1CARM1PRMT6PRMT8
SCHEMBL16129020 0.88 S1PR1 (0.34) S1PR1ARPRMT1CARM1
SCHEMBL19904785 0.87 AR (0.33) S1PR1ARPRMT1CARM1
SCHEMBL16129018 0.87 CARM1 (0.35) S1PR1ARPRMT1CARM1PRMT6
SCHEMBL16128988 0.87 XDH (0.44) S1PR1PRMT1CARM1PRMT6PRMT8
SCHEMBL16128994 0.86 AR (0.39) S1PR1ARPRMT1PRMT6PDE3B
SCHEMBL19431995 0.86 PRMT1 (0.32) ARPRMT1CARM1PRMT6PRMT8
SCHEMBL19432090 0.84 S1PR1 (0.34) S1PR1ARPRMT1CARM1CTSS

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
EP-2970134-B1 PYRAZOLE DERIVATIVES AS PRMT1 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2018-02-28 — — EP disclosed
US-20160039767-A1 PYRAZOLE DERIVATIVES AS PRMT1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-02-11 — — US disclosed
US-8952026-B2 PRMT1 inhibitors and uses thereof Epizyme, Inc. (US) 2015-02-10 — — US disclosed
US-20140288140-A1 PRMT1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 — — 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 (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-20160039767-A1 PYRAZOLE DERIVATIVES AS PRMT1 INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 S1PR1 2250/4885AR 3500/4885PRMT1 1/4885
US-20140288140-A1 PRMT1 INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT6 S1PR1 1979/4885AR 3426/4885PRMT1 1/4885

“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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