SCHEMBL12485614

SCHEMBL12485614

CNc1cc(Nc2ccc(OC)cc2)ncn1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.87
KMT2A Q03164 5/20 0.87
RAB9A P51151 5/20 0.77
NPC1 O15118 4/20 0.77
TNNI3K Q59H18 1/20 0.60
EGFR P00533 8/20 0.59
ERBB3 P21860 7/20 0.59
CDK4 P11802 1/20 0.56
MAPT P10636 4/20 0.56
GAA P10253 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
RECQL P46063 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 1/20 0.50

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
SCHEMBL10187337 0.83 MEN1 (0.81) MEN1KMT2ARAB9ANPC1TNNI3K
SCHEMBL13570421 0.83 MEN1 (0.79) MEN1KMT2ARAB9ANPC1TNNI3K
SCHEMBL12486513 0.83 MEN1 (0.79) MEN1KMT2ARAB9ANPC1TNNI3K
SCHEMBL13834481 0.83 MEN1 (0.79) MEN1KMT2ARAB9ANPC1TNNI3K
SCHEMBL856014 0.82 MEN1 (0.78) MEN1KMT2ARAB9ANPC1TNNI3K
SCHEMBL1097149 0.82 MEN1 (0.78) MEN1KMT2ARAB9ANPC1TNNI3K
SCHEMBL27339283 0.80 MEN1 (0.74) MEN1KMT2ARAB9ANPC1TNNI3K
SCHEMBL12487662 0.80 MEN1 (0.74) MEN1KMT2ARAB9ANPC1TNNI3K
SCHEMBL373960 0.79 EGFR (0.57) MEN1KMT2ARAB9ANPC1TNNI3K
SCHEMBL2175110 0.79 MEN1 (0.72) MEN1KMT2ARAB9ANPC1TNNI3K

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 6 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 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
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 MEN1 4740/4885KMT2A 2502/4885RAB9A 2086/4885

“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.