SCHEMBL2238690

SCHEMBL2238690

CNc1cc(-c2cncc(-c3ccc(C(=O)N4CCCC4)cc3)c2)nc(-c2ccccn2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.48
TGFBR1 P36897 1/20 0.47
ABL1 P00519 3/20 0.46
BCR P11274 3/20 0.46
SLC6A7 Q99884 2/20 0.45
RIPK1 Q13546 2/20 0.45
ADORA2A P29274 2/20 0.44
MAPK1 P28482 2/20 0.44
TACR3 P29371 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2238961 0.93 RIPK1 (0.48) ABL1BCRSLC6A7RIPK1MAPK1
SCHEMBL2238366 0.92 TGFBR1 (0.49) HPGDTGFBR1ABL1BCRSLC6A7
SCHEMBL2238776 0.92 HPGD (0.47) HPGDABL1BCRSLC6A7ADORA2A
SCHEMBL2237541 0.87 HPGD (0.45) HPGDABL1BCRMAPK1TACR3
SCHEMBL2237774 0.84 KDM4E (0.45) ABL1MAPK1KDM4EL3MBTL1
SCHEMBL2243570 0.84 FLT3 (0.52) HPGDTGFBR1ABL1BCRSLC6A7
SCHEMBL3721461 0.82 RIPK1 (0.48) HPGDTGFBR1ABL1BCRSLC6A7
SCHEMBL2241844 0.82 TGFBR1 (0.45) TGFBR1ABL1KDM4EALDH1A1
SCHEMBL3718285 0.81 CCNC (0.53) RIPK1KDM4ECCNCCDK8L3MBTL1
SCHEMBL3663458 0.81 TGFBR1 (0.52) HPGDTGFBR1ABL1BCRSLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 HPGD 2857/4885TGFBR1 25/4885ABL1 269/4885

“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.