SCHEMBL21489779

SCHEMBL21489779

NC1CCC(NC(=O)c2ccncc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 14/20 0.56
▸ PBK Q96KB5 1/20 0.48
▸ HPGD P15428 2/20 0.48
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ PIM1 P11309 1/20 0.44
▸ WNT1 P04628 1/20 0.43
▸ DYRK1A Q13627 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
SCHEMBL19701344 1.00 SMYD3 (0.56) SMYD3PBKHPGDCDK1CCNB1
SCHEMBL21490017 0.84 SMYD3 (0.62) SMYD3
SCHEMBL19710343 0.84 SMYD3 (0.62) SMYD3
SCHEMBL23575885 0.83 SMYD3 (0.56) SMYD3PBK
SCHEMBL19701369 0.83 SMYD3 (0.56) SMYD3PBK
SCHEMBL21489703 0.82 SMYD3 (0.57) SMYD3PBKWNT1DYRK1A
SCHEMBL19701337 0.82 SMYD3 (0.57) SMYD3PBKWNT1DYRK1A
SCHEMBL21489690 0.81 SMYD3 (0.56) SMYD3PBK
SCHEMBL19701355 0.81 SMYD3 (0.56) SMYD3PBK
SCHEMBL7510470 0.78 ALDH1A1 (0.54) SMYD3PBKHPGD

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 1/4885PBK 4706/4885HPGD 3818/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885PBK 4541/4885HPGD 3211/4885

“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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