SCHEMBL2238833

SCHEMBL2238833

Cc1cccnc1-c1nc(NCc2cccc3[nH]ccc23)cc(-c2cccnc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.48
CYP2C9 P11712 3/20 0.48
CYP1A2 P05177 9/20 0.43
CLK4 Q9HAZ1 9/20 0.43
CYP2D6 P10635 8/20 0.43
CYP2C19 P33261 7/20 0.43
HSD17B10 Q99714 6/20 0.43
TSHR P16473 4/20 0.43
ALOX15 P16050 4/20 0.41
USP2 O75604 4/20 0.41
PIM1 P11309 2/20 0.41
ROCK2 O75116 2/20 0.41
CDC7 O00311 1/20 0.41
MAP4K4 O95819 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL2240050 0.86 CYP3A4 (0.46) CYP3A4CYP2C9CYP1A2CLK4CYP2D6
SCHEMBL2238648 0.85 CYP2A6 (0.46) CYP3A4CYP2C9CYP1A2CLK4CYP2D6
SCHEMBL2241708 0.81 GBA1 (0.57) CYP3A4CYP2C9CYP1A2CLK4CYP2D6
SCHEMBL2241460 0.78 CDK4 (0.47) CYP3A4CYP2C9CYP1A2CLK4CYP2D6
SCHEMBL3721234 0.77 CYP3A4 (0.41) CYP3A4CYP2C9CYP1A2CLK4CYP2D6
SCHEMBL2240699 0.77 CYP3A4 (0.44) CYP3A4CYP2C9CYP1A2CLK4CYP2D6
SCHEMBL2240341 0.75 CDK4 (0.50) CYP3A4CYP2C9CYP1A2CLK4CYP2D6
SCHEMBL2237770 0.74 CYP1A2 (0.47) CYP3A4CYP2C9CYP1A2CLK4CYP2D6
SCHEMBL4073509 0.74 CDK4 (0.43) CYP3A4CYP2C9CYP1A2CLK4CYP2D6
SCHEMBL2239613 0.73 CYP3A4 (0.46) CYP3A4CYP2C9CYP1A2CLK4CYP2D6

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 CYP3A4 1519/4885CYP2C9 1527/4885CYP1A2 929/4885

“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.