SCHEMBL26964740

SCHEMBL26964740

CC(C)(C)n1nc(N)cc1[C@H]1CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.35
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ USP2 O75604 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL26964977 1.00 BACE1 (0.35) BACE1HPGDSMN1; SMN2CCNE1CDK2
SCHEMBL26964564 0.82 SMN1; SMN2 (0.39) BACE1HPGDSMN1; SMN2CCNE1CDK2
SCHEMBL30645653 0.82 SMN1; SMN2 (0.39) BACE1HPGDSMN1; SMN2CCNE1CDK2
SCHEMBL26964795 0.78 SMN1; SMN2 (0.41) BACE1HPGDSMN1; SMN2CCNE1CDK2
SCHEMBL26964688 0.78 SMYD2 (0.33) HPGDSMN1; SMN2
SCHEMBL29987604 0.78 CCNE1 (0.39) BACE1HPGDSMN1; SMN2CCNE1CDK2
SCHEMBL14461324 0.77 BACE1 (0.43) BACE1SMN1; SMN2
SCHEMBL30714138 0.75 HPGD (0.36) BACE1HPGDSMN1; SMN2
SCHEMBL30714285 0.75 HPGD (0.36) BACE1HPGDSMN1; SMN2
SCHEMBL25106731 0.75 BACE1 (0.39) BACE1HPGDSMN1; SMN2

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-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2024-06-13 — — US disclosed
EP-4291176-A1 CDK INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2023-12-20 — — EP 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 (1 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-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF CDK3, CDK8, CDK6 BACE1 1699/4885HPGD 1778/4885SMN1; SMN2 1936/4885

“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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