SCHEMBL16128987

SCHEMBL16128987

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.38
▸ PRMT1 Q99873 4/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ PRMT8 Q9NR22 1/20 0.38
▸ XDH P47989 1/20 0.36
▸ CARM1 Q86X55 2/20 0.35
▸ AAK1 Q2M2I8 10/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 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
SCHEMBL16128988 0.91 XDH (0.44) S1PR1PRMT1PRMT6PRMT8XDH
SCHEMBL16129025 0.90 PDE3B (0.41) S1PR1PRMT1PRMT6PRMT8CARM1
SCHEMBL16129012 0.89 S1PR1 (0.39) S1PR1PRMT1PRMT6PRMT8CARM1
SCHEMBL16129006 0.88 S1PR1 (0.39) S1PR1PRMT1PRMT6PRMT8CARM1
SCHEMBL16129001 0.88 PRMT1 (0.35) S1PR1PRMT1PRMT6PRMT8CARM1
SCHEMBL16128989 0.86 S1PR1 (0.38) S1PR1PRMT1PRMT6PRMT8AAK1
SCHEMBL16129085 0.84 PDE3B (0.40) S1PR1PRMT1PRMT6PRMT8CARM1
SCHEMBL19060092 0.84 AR (0.33) PRMT1XDHCARM1
SCHEMBL16127440 0.83 PRMT1 (0.33) PRMT1PRMT6PRMT8CARM1
SCHEMBL19904825 0.83 PRMT1 (0.36) S1PR1PRMT1PRMT6PRMT8CARM1

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 2250/4885PRMT1 1/4885PRMT6 5/4885
US-20140288140-A1 PRMT1 INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT6 S1PR1 1979/4885PRMT1 1/4885PRMT6 3/4885

“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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