SCHEMBL3547643

SCHEMBL3547643

CN(C)c1nc(SCCO)c(C#N)c(-c2ccccc2)c1C#N

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 18/20 0.68
ADORA2B P29275 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL13913670 0.81 ADORA1 (1.00) ADORA1ADORA2BMEN1KMT2A
SCHEMBL13036497 0.81 ADORA1 (0.68) ADORA1ADORA2B
SCHEMBL3544024 0.80 L3MBTL1 (0.45) ADORA1MEN1KMT2A
SCHEMBL13036490 0.80 ADORA1 (0.67) ADORA1ADORA2B
SCHEMBL13036501 0.77 ADORA1 (0.67) ADORA1
SCHEMBL13036505 0.75 ADORA1 (0.64) ADORA1
SCHEMBL13036494 0.74 ADORA1 (0.59) ADORA1
SCHEMBL3545556 0.73 TDP1 (0.49) ADORA1MEN1KMT2A
SCHEMBL13074253 0.72 ADORA1 (0.66) ADORA1ADORA2B
SCHEMBL13913771 0.72 ADORA1 (1.00) ADORA1ADORA2BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825255-B2 Adenosine receptor selective modulators BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-02 US disclosed
US-7825255-B2 Adenosine receptor selective modulators BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-02 US disclosed
US-7825255-B2 Adenosine receptor selective modulators BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-02 US disclosed
EP-1368319-B1 SUBSTITUTED 2-THIO-3,5-DICYANO-4-ARYL-6-AMINOPYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS BAYER HEALTHCARE AG (DE) 2006-12-06 EP disclosed
US-20060154969-A1 Adenosine receptor selective modulators BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 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-20060154969-A1 Adenosine receptor selective modulators ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2B 4/4885MEN1 3230/4885

“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.