SCHEMBL11914644

SCHEMBL11914644

CC(C)C1C(=O)Nc2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.47
▸ KMT2A Q03164 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ MAOB P27338 1/20 0.36
▸ BRPF1 P55201 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ IDH1 O75874 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TNKS O95271 1/20 0.32

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
SCHEMBL19153038 0.77 GSK3B (0.56) GSK3BKMT2AADORA3ADORA2AADORA1
SCHEMBL18237861 0.77 GSK3B (0.32) GSK3BMAOBMAPTTP53
SCHEMBL19131348 0.74 GSK3B (0.36) GSK3BADORA3ADORA2AADORA1CYP1A2
SCHEMBL29605127 0.74 GSK3B (0.47) GSK3BKMT2AADORA3ADORA2AADORA1
SCHEMBL18237784 0.74 GSK3B (0.40) GSK3B
SCHEMBL14030312 0.73 GSK3B (0.47) GSK3BKMT2AADORA3ADORA2AADORA1
SCHEMBL11914645 0.73 GSK3B (0.47) GSK3BKMT2AMAOBCYP1A2SMN1; SMN2
SCHEMBL14048228 0.73 GSK3B (0.51) GSK3BADORA3ADORA2AADORA1BRPF1
SCHEMBL18237845 0.73 GSK3B (0.41) GSK3BADORA3ADORA2AADORA1CREBBP
SCHEMBL23836089 0.72 IDO1 (0.46) GSK3BKMT2AMAOBBRPF1CREBBP

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 19 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-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 — — US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 — — US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 — — WO disclosed
US-8557841-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-15 — — US disclosed
US-20120252799-A1 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-04 — — US disclosed
US-8232291-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-31 — — US disclosed
US-20110224199-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 — — US disclosed
US-7977353-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-12 — — US disclosed
US-7910601-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 — — US disclosed
US-20100305114-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-02 — — US disclosed
US-7799801-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-21 — — US disclosed
US-7799801-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-21 — — US disclosed
US-20100016233-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 — — US disclosed
US-20090324625-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-31 — — US disclosed
US-20090324625-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-31 — — US disclosed
US-7592354-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 — — US disclosed
US-7589102-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 — — US disclosed
US-7166596-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 — — 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 (7 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT GSK3B 2160/4885KMT2A 1005/4885ADORA3 4145/4885
US-20090324625-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R GSK3B 2682/4885KMT2A 3273/4885ADORA3 604/4885
US-20100016233-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R GSK3B 2682/4885KMT2A 3273/4885ADORA3 604/4885
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT GSK3B 2160/4885KMT2A 1005/4885ADORA3 4145/4885
US-20110224199-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R GSK3B 2682/4885KMT2A 3273/4885ADORA3 604/4885
US-20120252799-A1 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES GHSR, GHRHR, NPY1R GSK3B 2682/4885KMT2A 3273/4885ADORA3 604/4885
US-20100305114-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R GSK3B 2682/4885KMT2A 3273/4885ADORA3 604/4885

“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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