SCHEMBL2175670

SCHEMBL2175670

OCCNc1cc(Nc2ccc(Nc3ccccc3)cc2)ncn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.68
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
RECQL P46063 1/20 0.50
MCL1 Q07820 1/20 0.50
ERBB3 P21860 3/20 0.49
JAK3 P52333 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CDK4 P11802 1/20 0.47
KCNH3 Q9ULD8 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
CLK4 Q9HAZ1 2/20 0.45
MAP4K4 O95819 1/20 0.45
TYK2 P29597 1/20 0.45
MINK1 Q8N4C8 1/20 0.45

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
SCHEMBL2173971 0.97 EGFR (0.72) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL2177484 0.88 EGFR (0.57) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL2173891 0.85 EGFR (0.60) EGFRMEN1KMT2AERBB3CDK4
SCHEMBL4760023 0.84 EGFR (0.60) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL2176219 0.81 EGFR (0.67) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL2174864 0.81 EGFR (0.71) EGFRERBB3TNNI3K
SCHEMBL2174568 0.81 EGFR (0.71) EGFRMEN1KMT2ANPC1JAK3
SCHEMBL2176919 0.81 EGFR (0.71) EGFRNPC1RAB9AERBB3CDK4
SCHEMBL2175110 0.81 MEN1 (0.72) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL414719 0.80 MEN1 (0.70) EGFRMEN1KMT2ANPC1RAB9A

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 12 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
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
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 4266/4885MEN1 4740/4885KMT2A 2502/4885

“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.