SCHEMBL23701644

SCHEMBL23701644

Nc1c[nH]nc1-c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.44
ADORA1 P30542 10/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
NOS1 P29475 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PDPK1 O15530 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
ECE1 P42892 1/20 0.34
TGFBR1 P36897 1/20 0.34
ADORA3 P0DMS8 4/20 0.33
ADORA2B P29275 4/20 0.33
SMPD3 Q9NY59 1/20 0.33
CYP2A6 P11509 1/20 0.33
METAP1 P53582 1/20 0.33

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
SCHEMBL12320484 0.78 ADORA2A (0.41) ADORA2AADORA1PDPK1LOXL2ECE1
SCHEMBL12277372 0.74 ADORA2A (0.43) ADORA2AADORA1PDPK1LOXL2ECE1
SCHEMBL3777152 0.73 ECE1 (0.46) ADORA2AADORA1ALDH1A1PDPK1ECE1
SCHEMBL3838752 0.68 ADORA2A (0.53) ADORA2AADORA1ALDH1A1TSHRNOS1
SCHEMBL3663184 0.68 ADORA2A (0.47) ADORA2AADORA1ALDH1A1TSHRNOS1
SCHEMBL31631304 0.68 ADORA2A (0.47) ADORA2AADORA1ALDH1A1TSHRNOS1
SCHEMBL102331 0.67 PDPK1 (0.59) ADORA2AADORA1ALDH1A1TSHRNOS1
SCHEMBL5785414 0.67 PDPK1 (0.37) ADORA2AADORA1ALDH1A1TSHRNOS1
SCHEMBL5156992 0.67 ADORA2A (0.47) ADORA2AADORA1ALDH1A1TSHRNOS1
SCHEMBL20092688 0.65 MGAM (0.42) ADORA2AADORA1ALDH1A1HSP90AA1PDPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 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 (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-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ADORA2A 765/4885ADORA1 1295/4885ALDH1A1 4654/4885

“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.