SCHEMBL2176136

SCHEMBL2176136

CCCNc1cc(N)nc(-c2ccc(OC)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
BLM P54132 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ADORA3 P0DMS8 5/20 0.48
ADORA2B P29275 1/20 0.47
CHRNA7 P36544 1/20 0.46
DYRK1A Q13627 1/20 0.44
FYN P06241 1/20 0.44
CLK4 Q9HAZ1 3/20 0.44
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
PTGS2 P35354 1/20 0.42
PTGDR Q13258 1/20 0.42
HRH2 P25021 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CLK1 P49759 1/20 0.41
KMT2A Q03164 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
SCHEMBL2177144 0.81 DYRK1A (0.50) ALDH1A1ADORA3ADORA2BCHRNA7DYRK1A
SCHEMBL2178398 0.79 DYRK1A (0.61) ALDH1A1ADORA3DYRK1ACLK4KMT2A
SCHEMBL28331814 0.77 CLK4 (0.55) L3MBTL1DYRK1ACLK4PTGS2PTGDR
SCHEMBL26059423 0.75 DYRK1A (0.75) ALDH1A1ADORA3ADORA2BDYRK1AHRH2
SCHEMBL9013358 0.73 DYRK1A (0.54) ALDH1A1DYRK1ACLK4ABCG2KMT2A
SCHEMBL16404491 0.72 PDE5A (0.56) ADORA3CHRNA7ABCB1ABCC1ABCG2
SCHEMBL11787153 0.72 ESR1 (0.54) ALDH1A1ADORA3ADORA2BCLK4PTGS2
SCHEMBL18902087 0.71 GAA (0.70) ALDH1A1L3MBTL1CHRNA7FYNABCB1
SCHEMBL16703064 0.69 TLR8 (0.65) ADORA3ADORA2BDYRK1APTGDRHRH2
SCHEMBL613598 0.69 GAA (0.79) ALDH1A1L3MBTL1CHRNA7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519501-B1 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS UNIV WIEN TECH (AT) 2015-04-22 EP claimed
US-8986994-B2 Substituted pyridines and pyrimidines TECHNISCHE UNIVERSITAET WIEN (AT) 2015-03-24 US claimed
US-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES MEDIZINISCHE UNIVERSITAET WIEN (AT) 2012-11-22 US claimed
EP-2519501-B1 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS UNIV WIEN TECH (AT) 2015-04-22 EP disclosed
US-8986994-B2 Substituted pyridines and pyrimidines TECHNISCHE UNIVERSITAET WIEN (AT) 2015-03-24 US disclosed
US-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES MEDIZINISCHE UNIVERSITAET WIEN (AT) 2012-11-22 US disclosed
EP-2519501-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS Technische Universität Wien (AT) 2012-11-07 EP disclosed
WO-2011079343-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES TECHNISCHE UNIVERSITAET WIEN (AT) 2011-07-07 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-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES TNNI3, TNNT2, PROX1 ALDH1A1 63/4885BLM 4020/4885L3MBTL1 3191/4885

“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.