SCHEMBL2174704

SCHEMBL2174704

OCCCNc1cc(Nc2cccc(Cl)c2)ncn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.67
CDK1 P06493 9/20 0.67
CDK5 Q00535 3/20 0.67
CDK5R1 Q15078 3/20 0.67
MAPT P10636 3/20 0.67
MAPK1 P28482 3/20 0.67
NPC1 O15118 2/20 0.67
XBP1 P17861 2/20 0.67
HTT P42858 2/20 0.67
RAB9A P51151 2/20 0.67
KDM4E B2RXH2 2/20 0.67
PAX8 Q06710 1/20 0.67
KDR P35968 11/20 0.65
CDK4 P11802 2/20 0.63
CCNB1 P14635 2/20 0.63
CCNA2 P20248 2/20 0.63
CCND1 P24385 2/20 0.63
CDK2 P24941 2/20 0.63
CDK7 P50613 2/20 0.63
CCNH P51946 2/20 0.63

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
SCHEMBL2176919 0.92 EGFR (0.71) EGFRCDK1CDK5CDK5R1MAPT
SCHEMBL30940064 0.86 KDR (0.77) EGFRCDK1CDK5CDK5R1MAPT
SCHEMBL8798594 0.84 EGFR (0.85) EGFRCDK1CDK5CDK5R1MAPT
SCHEMBL8799214 0.83 EGFR (0.83) EGFRCDK1CDK5CDK5R1MAPT
SCHEMBL27319709 0.82 EGFR (0.58) EGFRCDK1CDK5CDK5R1MAPT
SCHEMBL4670165 0.81 CDK1 (1.00) EGFRCDK1CDK5CDK5R1MAPT
SCHEMBL2175165 0.81 EGFR (1.00) EGFRCDK1CDK5CDK5R1MAPT
SCHEMBL12482486 0.81 EGFR (0.70) EGFRCDK1CDK5CDK5R1MAPT
SCHEMBL7854797 0.80 EGFR (0.57) EGFRCDK1CDK5CDK5R1MAPT
SCHEMBL7854844 0.80 MAPT (0.57) EGFRCDK1CDK5CDK5R1MAPT

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 14 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

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 4266/4885CDK1 803/4885CDK5 2420/4885

“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.