SCHEMBL18237845

SCHEMBL18237845

CC(C)C1CC(=O)Nc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.41
▸ CREBBP Q92793 13/20 0.41
▸ BRD4 O60885 12/20 0.41
▸ EP300 Q09472 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GSK3A P49840 2/20 0.35
▸ CDK5 Q00535 2/20 0.35
▸ CDK5R1 Q15078 2/20 0.35
▸ TNKS O95271 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34

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
SCHEMBL19152539 0.80 GSK3B (0.47) GSK3BCREBBPBRD4EP300ADORA3
SCHEMBL10309642 0.74 ALDH1A1 (0.53) CREBBPBRD4EP300ALDH1A1
SCHEMBL11914644 0.73 GSK3B (0.47) GSK3BCREBBPADORA3ADORA2AADORA1
SCHEMBL18237542 0.73 GSK3B (0.34) GSK3BADORA3ADORA2AADORA1
SCHEMBL31033318 0.68 CREBBP (0.61) GSK3BCREBBPBRD4EP300
SCHEMBL19131091 0.68 CDC7 (0.47) GSK3BTNKS2
SCHEMBL10527226 0.67 TNKS (0.38) GSK3BGSK3ACDK5CDK5R1TNKS
SCHEMBL19153038 0.67 GSK3B (0.56) GSK3BCREBBPBRD4ADORA3ADORA2A
SCHEMBL21061403 0.67 CREBBP (0.63) CREBBPBRD4EP300ALDH1A1
SCHEMBL10526290 0.67 TNKS (0.36) GSK3BALDH1A1GSK3ACDK5CDK5R1

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-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO INC (US) 2023-01-05 — — US disclosed
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2019-09-26 — — US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 — — WO 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-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT GSK3B 2160/4885CREBBP 4871/4885BRD4 3709/4885
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT GSK3B 2160/4885CREBBP 4871/4885BRD4 3709/4885

“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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