SCHEMBL2143618

SCHEMBL2143618

CNC(C)c1cccc2c1ncn2COCC[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ADORA2A P29274 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
SCHEMBL2143381 0.87 ADORA2A (0.30) ADORA2A
SCHEMBL5951884 0.79 DGAT1 (0.38) DGAT1BRD4CREBBPNPC1
SCHEMBL112535 0.78 NPC1 (0.34) DGAT1BRD4CREBBPNPC1
SCHEMBL4069249 0.78 SMN1; SMN2 (0.35) DGAT1BRD4CREBBPNPC1
SCHEMBL21458046 0.78 DGAT1 (0.37) DGAT1BRD4CREBBPNPC1ADORA2A
SCHEMBL23122502 0.78 ADA (0.36) DGAT1BRD4CREBBPNPC1
SCHEMBL15825447 0.78 DGAT1 (0.40) DGAT1BRD4CREBBPNPC1
SCHEMBL29117073 0.77 BRD4 (0.39) DGAT1BRD4CREBBPNPC1
SCHEMBL22717563 0.76 NPC1 (0.37) DGAT1BRD4CREBBPNPC1ADORA2A
SCHEMBL23123000 0.76 NPC1 (0.35) DGAT1BRD4CREBBPNPC1

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
EP-2424843-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2014-03-26 — — EP disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 — — 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 (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-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES CDK3, CCNI, CDK1 DGAT1 4775/4885BRD4 610/4885CREBBP 1826/4885

“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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