SCHEMBL26964564

SCHEMBL26964564

CC(C)(C)n1nc([C@H]2CC[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ TGFBR1 P36897 2/20 0.32
▸ SRC P12931 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ TSHR P16473 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
SCHEMBL30645653 1.00 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL26964795 0.96 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL29987604 0.93 CCNE1 (0.39) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL30714133 0.90 SMN1; SMN2 (0.34) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL26964740 0.82 BACE1 (0.35) SMN1; SMN2CCNE1CDK2GSK3BBACE1
SCHEMBL26964977 0.82 BACE1 (0.35) SMN1; SMN2CCNE1CDK2GSK3BBACE1
SCHEMBL25349913 0.81 SMN1; SMN2 (0.32) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL25347799 0.81 SMN1; SMN2 (0.32) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL17387673 0.78 CYP3A4 (0.43) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL2419398 0.78 CYP3A4 (0.43) SMN1; SMN2NPC1RAB9ALMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246950-A1 Anilino-Pyrazole Derivatives, Compositions and Methods Thereof Ensem Therapeutics (US) 2024-07-25 — — US disclosed
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 (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-20240246950-A1 Anilino-Pyrazole Derivatives, Compositions and Methods Thereof CDK2, CDK3, CDK4 SMN1; SMN2 4006/4885NPC1 3927/4885RAB9A 3084/4885
US-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF CDK3, CDK8, CDK6 SMN1; SMN2 1936/4885NPC1 3978/4885RAB9A 2872/4885

“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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