SCHEMBL3544024

SCHEMBL3544024

CN(C)c1nc(Sc2ccccc2)c(C#N)c(-c2ccccc2)c1C#N

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPSR1 Q6W5P4 3/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
MAPT P10636 5/20 0.43
RXFP1 Q9HBX9 2/20 0.43
KDM4E B2RXH2 4/20 0.43
CYP3A4 P08684 2/20 0.43
ADORA1 P30542 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL3548799 0.80 KDM4E (0.49) L3MBTL1TDP1NPSR1HPGDALDH1A1
SCHEMBL3547643 0.80 ADORA1 (0.68) ADORA1MEN1KMT2A
SCHEMBL245593 0.79 ADORA1 (0.64) NPSR1HPGDALDH1A1MAPTRXFP1
SCHEMBL3545556 0.77 TDP1 (0.49) L3MBTL1TDP1NPSR1HPGDALDH1A1
SCHEMBL13849107 0.74 KDM4E (0.52) L3MBTL1TDP1NPSR1ALDH1A1CYP1A2
SCHEMBL28185531 0.72 KDM4E (0.73) L3MBTL1TDP1NPSR1HPGDALDH1A1
SCHEMBL11924383 0.71 KDM4E (0.44) L3MBTL1TDP1NPSR1HPGDALDH1A1
SCHEMBL13938147 0.71 ADORA1 (0.62) L3MBTL1NPSR1HPGDALDH1A1MAPT
SCHEMBL244863 0.71 ADORA1 (0.61) L3MBTL1NPSR1HPGDALDH1A1CYP1A2
SCHEMBL4031424 0.71 ADORA1 (0.48) L3MBTL1TDP1NPSR1ALDH1A1CYP1A2

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-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
EP-1368319-A1 SUBSTITUTED 2-THIO-3,5-DICYANO-4-ARYL-6-AMINOPYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS Bayer Aktiengesellschaft (DE) 2003-12-10 EP disclosed
WO-2002070485-A1 SUBSTITUTED 2-THIO-3,5-DICYANO-4-ARYL-6-AMINOPYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS BAYER AKTIENGESELLSCHAFT (DE) 2002-09-12 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-20060154969-A1 Adenosine receptor selective modulators ADORA2A, ADORA1, ADORA3 L3MBTL1 4871/4885TDP1 2279/4885NPSR1 63/4885

“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.