SCHEMBL2239607

SCHEMBL2239607

O=c1cc(-c2cccnc2)nc(-c2ccccn2)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.59
GSK3B P49841 1/20 0.56
KMT2A Q03164 3/20 0.55
CDC7 O00311 1/20 0.51
DBF4 Q9UBU7 1/20 0.51
CBFB Q13951 1/20 0.49
METAP2 P50579 4/20 0.49
METAP1 P53582 4/20 0.49
CYP19A1 P11511 1/20 0.49
PIM1 P11309 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL5396525 0.86 GSK3B (0.71) GSK3BKMT2ACDC7CBFBMETAP2
SCHEMBL5384455 0.85 GSK3B (0.75) GSK3BKMT2ACDC7DBF4CYP19A1
SCHEMBL14935666 0.84 GSK3B (0.73) GSK3BKMT2ACDC7DBF4CYP19A1
SCHEMBL13611987 0.84 LMNA (0.54) GSK3BKMT2ACBFBMETAP2METAP1
SCHEMBL5381426 0.81 GSK3B (0.78) GSK3BKMT2ACDC7DBF4CYP19A1
SCHEMBL5376063 0.80 GSK3B (0.76) GSK3BKMT2ACDC7DBF4CYP19A1
SCHEMBL5390774 0.80 GSK3B (0.66) GSK3BKMT2ACDC7DBF4NPC1
[2,3'']Bipyridinyl SCHEMBL29360744 0.77 CYP2A6 (1.00) CYP2A6METAP2METAP1CYP19A1PIM1
[2,3'']Bipyridinyl SCHEMBL29486847 0.77 CYP2A6 (1.00) CYP2A6METAP2METAP1CYP19A1PIM1
[2,3'']Bipyridinyl SCHEMBL29389597 0.77 CYP2A6 (1.00) CYP2A6METAP2METAP1CYP19A1PIM1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231642-B1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-10-23 EP disclosed
US-8431578-B2 Organic compounds NOVARTIS AG (CH) 2013-04-30 US disclosed
EP-2044056-B1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2012-08-22 EP disclosed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 US disclosed
US-20100298337-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-25 US disclosed
EP-2231642-A1 PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2010-09-29 EP disclosed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US disclosed
WO-2009087224-A1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-16 WO disclosed
EP-2044056-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS Novartis Ag (CH) 2009-04-08 EP disclosed
WO-2008006583-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2008-01-17 WO disclosed
EP-1878733-A1 Pyrimidine derivatives as ALK-5 inhibitors Novartis AG (CH) 2008-01-16 EP 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 (2 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-20100298337-A1 Organic Compounds CYP11B2, TNNT2, CPT1B CYP2A6 221/4885GSK3B 2457/4885KMT2A 3490/4885
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors ALK, ACVR1, MUSK CYP2A6 1225/4885GSK3B 2623/4885KMT2A 2113/4885

“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.