SCHEMBL21489728

SCHEMBL21489728

CN1C(=O)Cc2cc(C(=O)NC3CCN(C(=O)C(N)Cc4c[nH]c5ccccc45)CC3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 8/20 1.00
▸ SOS1 Q07889 6/20 0.50
▸ KRAS P01116 1/20 0.50
▸ ADRA2A P08913 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ ADRA1B P35368 1/20 0.49
▸ TACR2 P21452 1/20 0.45
▸ TACR1 P25103 1/20 0.45
▸ SMYD2 Q9NRG4 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ AKT1 P31749 1/20 0.44

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
SCHEMBL19710121 1.00 SMYD3 (1.00) SMYD3SOS1KRASADRA2AADRA2B
SCHEMBL19710607 0.85 SMYD3 (1.00) SMYD3SOS1KRAS
SCHEMBL21489990 0.85 SMYD3 (1.00) SMYD3SOS1KRAS
SCHEMBL19710447 0.81 SMYD3 (1.00) SMYD3
SCHEMBL21489991 0.81 SMYD3 (1.00) SMYD3
SCHEMBL19701254 0.74 SMYD3 (0.87) SMYD3
SCHEMBL21490203 0.74 SMYD3 (0.87) SMYD3
SCHEMBL23575879 0.74 SMYD3 (1.00) SMYD3SOS1
SCHEMBL19710453 0.74 SMYD3 (1.00) SMYD3SOS1
SCHEMBL3788185 0.74 MEN1 (0.61) SMYD3SOS1KRASADRA2AMEN1

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 2 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

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-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885SOS1 740/4885KRAS 474/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885SOS1 504/4885KRAS 548/4885

“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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