SCHEMBL16124062

SCHEMBL16124062

CNCCN(C)Cc1c[nH]nc1-c1cc(CCC(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 13/20 0.38
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ PRMT6 Q96LA8 6/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ CARM1 Q86X55 10/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ PRMT8 Q9NR22 3/20 0.32
▸ PRMT3 O60678 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
SCHEMBL16125842 0.89 TACR1 (0.35) PRMT1PRMT6TACR1CARM1KMT2A
SCHEMBL16124064 0.88 PRMT6 (0.44) PRMT1NOS1NOS2PRMT6TACR1
SCHEMBL19904792 0.87 PRMT1 (0.45) PRMT1NOS1NOS2PRMT6TACR1
SCHEMBL19904812 0.86 PRMT1 (0.37) PRMT1NOS1NOS2PRMT6TACR1
SCHEMBL16124057 0.85 PRMT1 (0.37) PRMT1PRMT6CARM1PRMT8PRMT3
SCHEMBL19431940 0.84 PRMT1 (0.36) PRMT1PRMT6CARM1PRMT8PRMT3
SCHEMBL16128991 0.83 PRMT1 (0.38) PRMT1PRMT6CARM1PRMT8PRMT3
SCHEMBL20802118 0.81 PRMT1 (0.38) PRMT1PRMT6TACR1CARM1PRMT8
SCHEMBL16204270 0.80 PRMT6 (0.37) PRMT1PRMT6CARM1PRMT8
SCHEMBL16129019 0.79 PRMT1 (0.43) PRMT1PRMT6CARM1PRMT8PRMT3

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
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
WO-2014153090-A1 PYRAZOLE DERIVATIVES ASPRMT1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 — — WO 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 PRMT1 1/4885NOS1 200/4885NOS2 509/4885
US-20140288140-A1 PRMT1 INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT6 PRMT1 1/4885NOS1 244/4885NOS2 560/4885

“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.

Send feedback