SCHEMBL2177484

SCHEMBL2177484

OCCNc1cc(Nc2ccc(Oc3ccccc3)cc2)ncn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ERBB3 P21860 2/20 0.48
CDK4 P11802 1/20 0.48
SCN9A Q15858 2/20 0.48
KDR P35968 2/20 0.47
BRAF P15056 1/20 0.47
MAPK14 Q16539 1/20 0.47
TNNI3K Q59H18 1/20 0.47
GAA P10253 1/20 0.46
SCN5A Q14524 1/20 0.45
TEK Q02763 1/20 0.45
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TTBK1 Q5TCY1 1/20 0.42
TTBK2 Q6IQ55 1/20 0.42

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
SCHEMBL2175670 0.88 EGFR (0.68) EGFRKMT2AMEN1NPC1RAB9A
SCHEMBL2173971 0.87 EGFR (0.72) EGFRKMT2AMEN1NPC1RAB9A
SCHEMBL2175110 0.84 MEN1 (0.72) EGFRKMT2AMEN1NPC1RAB9A
SCHEMBL2179743 0.84 MEN1 (0.61) EGFRKMT2AMEN1NPC1RAB9A
SCHEMBL2174904 0.83 HTR7 (0.46) EGFRKMT2ASCN9AGAASCN5A
SCHEMBL2176931 0.81 SCN9A (0.50) KMT2AMEN1RAB9ASCN9AGAA
SCHEMBL30748838 0.81 MEN1 (0.54) EGFRKMT2AMEN1NPC1RAB9A
SCHEMBL3487003 0.79 MEN1 (0.61) EGFRKMT2AMEN1NPC1RAB9A
SCHEMBL2173891 0.79 EGFR (0.60) EGFRKMT2AMEN1ERBB3CDK4
SCHEMBL4760023 0.79 EGFR (0.60) EGFRKMT2AMEN1NPC1RAB9A

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 16 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
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 EGFR 4266/4885KMT2A 2502/4885MEN1 4740/4885

“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.