SCHEMBL2235666

SCHEMBL2235666

Cc1cccc(-c2nc(NCCc3ccc4cc[nH]c4c3)cc(-c3cccnc3)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 6/20 0.48
CYP2A6 P11509 1/20 0.44
PIK3CA P42336 2/20 0.43
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
CYP3A4 P08684 4/20 0.39
CYP2C9 P11712 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP1 O94782 1/20 0.38
WDR48 Q8TAF3 1/20 0.38
ATR Q13535 1/20 0.38
USP2 O75604 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL2238638 0.87 PTGDR (0.47) PTGDRCYP2A6PIK3CAPIK3CBPIK3CG
SCHEMBL2240699 0.84 CYP3A4 (0.44) PTGDRCYP2A6PIK3CACYP3A4CYP2C9
SCHEMBL2240876 0.83 PTGDR (0.55) PTGDRCYP2A6PIK3CAPIK3CBPIK3CG
SCHEMBL2237567 0.82 PIK3CA (0.51) PTGDRCYP2A6PIK3CAPIK3CBPIK3CG
SCHEMBL21857179 0.80 PIK3CA (0.50) PTGDRPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL2240068 0.79 CDK4 (0.55) PTGDRCYP2A6CYP3A4CYP2C9CYP1A2
SCHEMBL2238648 0.78 CYP2A6 (0.46) CYP2A6CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL2238378 0.78 CYP3A4 (0.46) CYP2A6CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL2238361 0.77 PTGDR (0.49) PTGDRCYP2A6CYP3A4CYP2C9CYP1A2
SCHEMBL2237571 0.76 SPR (0.57) PTGDRCYP3A4CYP2C9CYP1A2CYP2D6

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
CN-101490038-B Pyrimidine derivatives as ALK-5 inhibitors NOVARTIS AG 2013-08-14 CN claimed
EP-2044056-B1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2012-08-22 EP claimed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 US claimed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US claimed
CN-101490038-A Pyrimidine derivatives as ALK-5 inhibitors NOVARTIS AG (CH) 2009-07-22 CN claimed
EP-2044056-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS Novartis Ag (CH) 2009-04-08 EP claimed
WO-2008006583-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2008-01-17 WO claimed
CN-101490038-B Pyrimidine derivatives as ALK-5 inhibitors NOVARTIS AG 2013-08-14 CN 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-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US disclosed
CN-101490038-A Pyrimidine derivatives as ALK-5 inhibitors NOVARTIS AG (CH) 2009-07-22 CN 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

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-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors ALK, ACVR1, MUSK PTGDR 1588/4885CYP2A6 1225/4885PIK3CA 222/4885

“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.