SCHEMBL18239086

SCHEMBL18239086

CC(C)c1nncc2ccsc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
KCNH2 Q12809 1/20 0.31

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
SCHEMBL14438007 0.75 CYP2A6 (0.31) ADORA2AADORA1
SCHEMBL17344791 0.73 ADORA3 (0.36) ADORA3ADORA2AADORA2BADORA1
SCHEMBL21230321 0.73 ADORA2A (0.39) ADORA3ADORA2AADORA2BADORA1
SCHEMBL15980591 0.72 ADORA2A (0.41) ADORA3ADORA2AADORA2BADORA1
SCHEMBL29559945 0.71 DYRK1A (0.39) ADORA2AADORA1
SCHEMBL9877773 0.71 AXL (0.38) ADORA2AADORA1
SCHEMBL24175501 0.70 ADORA3 (0.33) ADORA3ADORA2AADORA2BADORA1
SCHEMBL15980639 0.70 ADORA3 (0.33) ADORA3ADORA2AADORA2BADORA1
SCHEMBL18237916 0.70 KDM4E (0.38) KCNH2
SCHEMBL13058676 0.68 PIK3CG (0.33) ADORA3ADORA2AADORA2BADORA1

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-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

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-20170202970-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.