SCHEMBL18238992

SCHEMBL18238992

CC(C)c1cc2c(=O)cc[nH]c2nn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.44
ADORA1 P30542 2/20 0.44
CCR8 P51685 1/20 0.37
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.32
JAK2 O60674 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
SCHEMBL19153634 0.77 ADORA2A (0.56) ADORA2AADORA1CCR8KMT2AALDH1A1
SCHEMBL18238981 0.75 CDK8 (0.37)
SCHEMBL13024472 0.75 ADORA2A (0.62) ADORA2AADORA1CCR8KMT2AALDH1A1
SCHEMBL18238086 0.73 ALDH1A1 (0.35) ADORA2AADORA1ALDH1A1HSD17B10JAK2
SCHEMBL18237693 0.73 KDM5B (0.33)
SCHEMBL22643889 0.70 PRMT5 (0.34)
SCHEMBL18239041 0.69 ALDH1A1 (0.45) ADORA2AADORA1CCR8KMT2AALDH1A1
SCHEMBL19131803 0.66 ADORA2A (0.50) ADORA2AADORA1CCR8KMT2AALDH1A1
SCHEMBL18237951 0.66 ADORA2A (0.39) ADORA2AADORA1KMT2AALDH1A1KDM4E
SCHEMBL2347240 0.65 ADORA2A (0.36) ADORA2AADORA1KMT2AALDH1A1KDM4E

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 ADORA2A 4582/4885ADORA1 4484/4885CCR8 1958/4885

“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.