SCHEMBL2238366

SCHEMBL2238366

CNc1cc(-c2cncc(-c3ccc(C(=O)N4CCOCC4)cc3)c2)nc(-c2ccccn2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.49
RIPK1 Q13546 1/20 0.47
CYP11B2 P19099 1/20 0.46
ABL1 P00519 3/20 0.44
BCR P11274 3/20 0.44
GABRA5 P31644 1/20 0.44
SLC6A7 Q99884 1/20 0.43
MKNK1 Q9BUB5 3/20 0.43
MKNK2 Q9HBH9 3/20 0.43
HPGD P15428 3/20 0.42
JAK2 O60674 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 1/20 0.42
PLK4 O00444 1/20 0.42
MAP4K4 O95819 1/20 0.42
ROS1 P08922 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
MARK3 P27448 1/20 0.42
FLT4 P35916 1/20 0.42

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
SCHEMBL2243570 0.92 FLT3 (0.52) TGFBR1ABL1BCRSLC6A7MKNK1
SCHEMBL2238690 0.92 HPGD (0.48) TGFBR1RIPK1ABL1BCRSLC6A7
SCHEMBL3663458 0.90 TGFBR1 (0.52) TGFBR1RIPK1CYP11B2ABL1BCR
SCHEMBL2238961 0.90 RIPK1 (0.48) RIPK1ABL1BCRSLC6A7MKNK1
SCHEMBL2241140 0.86 NPSR1 (0.44) TGFBR1ABL1KDM4ERAB9AKDR
SCHEMBL2241522 0.84 PIK3CA (0.47) TGFBR1RIPK1CYP11B2GABRA5HPGD
SCHEMBL2238776 0.84 HPGD (0.47) ABL1BCRSLC6A7HPGDJAK2
SCHEMBL2237284 0.83 TGFBR1 (0.47) TGFBR1ABL1JAK2KDM4EJAK1
SCHEMBL2240097 0.82 TGFBR1 (0.52) TGFBR1ABL1GABRA5KDRROCK1
SCHEMBL2242554 0.81 PLK4 (0.50) TGFBR1ABL1BCRHPGDJAK2

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 9 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-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US 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
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 TGFBR1 25/4885RIPK1 1180/4885CYP11B2 871/4885

“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.