SCHEMBL19701337

SCHEMBL19701337

Nc1ccncc1C(=O)N[C@H]1CC[C@H](N)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 16/20 0.57
▸ WNT1 P04628 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ PBK Q96KB5 1/20 0.46
▸ CYP46A1 Q9Y6A2 1/20 0.43

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
SCHEMBL21489703 1.00 SMYD3 (0.57) SMYD3WNT1DYRK1APBKCYP46A1
SCHEMBL15651270 0.94 SMYD3 (0.49) SMYD3CYP46A1
SCHEMBL21489690 0.84 SMYD3 (0.56) SMYD3PBKCYP46A1
SCHEMBL19701355 0.84 SMYD3 (0.56) SMYD3PBKCYP46A1
SCHEMBL21489766 0.83 SMYD3 (0.62) SMYD3
SCHEMBL19710311 0.83 SMYD3 (0.62) SMYD3
SCHEMBL7510470 0.82 ALDH1A1 (0.54) SMYD3PBKCYP46A1
SCHEMBL23575885 0.82 SMYD3 (0.56) SMYD3PBK
SCHEMBL21489779 0.82 SMYD3 (0.56) SMYD3WNT1DYRK1APBK
SCHEMBL19701369 0.82 SMYD3 (0.56) SMYD3PBK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 — — US claimed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 — — US claimed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 — — US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 — — US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 — — US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 — — US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 — — 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 (4 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-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 SMYD3 1/4885WNT1 2718/4885DYRK1A 1735/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885WNT1 3808/4885DYRK1A 2314/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885WNT1 3831/4885DYRK1A 2341/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885WNT1 3747/4885DYRK1A 1947/4885

“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