SCHEMBL16129085

SCHEMBL16129085

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ PRMT1 Q99873 13/20 0.36
▸ PRMT6 Q96LA8 4/20 0.36
▸ PRMT8 Q9NR22 2/20 0.36
▸ CARM1 Q86X55 4/20 0.34
▸ S1PR1 P21453 2/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ MOK Q9UQ07 1/20 0.32

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
SCHEMBL19428298 0.89 PRMT6 (0.43) PDE3BPDE3APRMT1PRMT6PRMT8
SCHEMBL19432080 0.86 PDE3B (0.39) PDE3BPDE3APRMT1PRMT6PRMT8
SCHEMBL16128988 0.85 XDH (0.44) PDE3BPDE3APRMT1PRMT6PRMT8
SCHEMBL16128987 0.84 S1PR1 (0.38) PDE3BPDE3APRMT1PRMT6PRMT8
SCHEMBL16127557 0.83 PRMT6 (0.33) PRMT1PRMT6PRMT8
SCHEMBL16131412 0.82 PRMT6 (0.42) PDE3BPDE3APRMT1PRMT6PRMT8
SCHEMBL19432193 0.82 PRMT1 (0.42) PRMT1PRMT6PRMT8CARM1
SCHEMBL16129025 0.80 PDE3B (0.41) PDE3BPDE3APRMT1PRMT6PRMT8
SCHEMBL16204270 0.80 PRMT6 (0.37) PRMT1PRMT6PRMT8CARM1
SCHEMBL16129012 0.80 S1PR1 (0.39) PDE3BPDE3APRMT1PRMT6PRMT8

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-20190077795-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2019-03-14 — — US disclosed
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 (3 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 PDE3B 629/4885PDE3A 583/4885PRMT1 1/4885
US-20190077795-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 PDE3B 420/4885PDE3A 293/4885PRMT1 1/4885
US-20140288140-A1 PRMT1 INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT6 PDE3B 999/4885PDE3A 899/4885PRMT1 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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