SCHEMBL13158237

SCHEMBL13158237

CC(C)c1cnnc2ccsc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP1 O94782 2/20 0.32
WDR48 Q8TAF3 2/20 0.32
AXL P30530 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
PDE7A Q13946 2/20 0.31
PDE4B Q07343 1/20 0.31
PDE7B Q9NP56 1/20 0.31
PDPK1 O15530 1/20 0.30
PARP1 P09874 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
SCHEMBL13182502 0.75 AXL (0.34) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL6842127 0.72 ADORA2A (0.44) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL30541507 0.72 ADORA2A (0.44) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL22336047 0.71 DYRK1A (0.43) ADORA2AADORA1MEN1KMT2AAXL
SCHEMBL20674132 0.71 AXL (0.34) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL30433507 0.71 DYRK1A (0.35) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL23176147 0.70 ELANE (0.33) USP1WDR48
SCHEMBL22446423 0.69 ADORA2A (0.42) ADORA3ADORA2AADORA2BADORA1USP1
SCHEMBL12914198 0.68
SCHEMBL18238723 0.68 ADORA3 (0.34) ADORA3ADORA2AADORA2BADORA1USP1

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 7 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
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-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 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 (4 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 ADORA3 4145/4885ADORA2A 4582/4885ADORA2B 4655/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT ADORA3 4145/4885ADORA2A 4582/4885ADORA2B 4655/4885
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CXCR2 ADORA3 190/4885ADORA2A 166/4885ADORA2B 381/4885
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT ADORA3 4145/4885ADORA2A 4582/4885ADORA2B 4655/4885

“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.