SCHEMBL2178048

SCHEMBL2178048

COc1ccc(Nc2cccc(NCCCO)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.56
KDR P35968 1/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 7/20 0.46
RAB9A P51151 6/20 0.46
GAA P10253 5/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
NPC1 O15118 5/20 0.46
MAPK1 P28482 3/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 2/20 0.45
THRB P10828 2/20 0.45
APAF1 O14727 1/20 0.45
TDP2 O95551 1/20 0.45
CASP6 P55212 1/20 0.45
G6PD P11413 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL2175149 0.92 ALDH1A1 (0.58) MERTKALDH1A1MAPTRAB9AGAA
SCHEMBL2175197 0.85 SCN9A (0.51) MERTKKDRALDH1A1MAPTRAB9A
SCHEMBL2175431 0.85 MERTK (0.53) MERTKALDH1A1MAPTRAB9AGAA
SCHEMBL2174982 0.81 RAB9A (0.53) ALDH1A1MAPTRAB9AGAAHTT
SCHEMBL2174775 0.80 MEN1 (0.68) MERTKRAB9AMEN1KMT2ANPC1
SCHEMBL11112945 0.77 GAA (0.70) MERTKALDH1A1MAPTRAB9AGAA
SCHEMBL2176931 0.77 SCN9A (0.50) ALDH1A1MAPTRAB9AGAAMEN1
SCHEMBL14810305 0.74 MAPT (0.69) MERTKALDH1A1MAPTMEN1KMT2A
SCHEMBL2175734 0.73 MAPT (0.59) ALDH1A1MAPTRAB9AGAAHTT
SCHEMBL23221522 0.73 ALDH1A1 (0.50) ALDH1A1MAPTRAB9AGAAMEN1

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 15 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-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS Technische Universität Wien (AT) 2012-11-07 EP claimed
WO-2011079343-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES TECHNISCHE UNIVERSITAET WIEN (AT) 2011-07-07 WO 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-8986994-B2 Substituted pyridines and pyrimidines TECHNISCHE UNIVERSITAET WIEN (AT) 2015-03-24 US 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
US-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES MEDIZINISCHE UNIVERSITAET WIEN (AT) 2012-11-22 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
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 MERTK 2882/4885KDR 2220/4885ALDH1A1 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.