SCHEMBL2235617

SCHEMBL2235617

CNc1cc(-c2cncc(-c3cccc(C(=O)N4CCCC4)c3)c2)nc(-c2cccc(C)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
HPGD P15428 5/20 0.42
EGLN1 Q9GZT9 2/20 0.41
POLB P06746 1/20 0.41
ATR Q13535 1/20 0.41
GRM5 P41594 1/20 0.40
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PLK4 O00444 1/20 0.39
JAK2 O60674 1/20 0.39
MAP4K4 O95819 1/20 0.39
ROS1 P08922 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
MARK3 P27448 1/20 0.39

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
SCHEMBL2242554 0.92 PLK4 (0.50) HPGDATRMEN1RAB9AKMT2A
SCHEMBL2237541 0.92 HPGD (0.45) HPGDGRM5MEN1NPC1ALDH1A1
SCHEMBL2238776 0.89 HPGD (0.47) ADORA2AADORA1HPGDEGLN1POLB
SCHEMBL2241835 0.84 POLB (0.45) HPGDPOLBATRGRM5
SCHEMBL2239526 0.83 IRAK4 (0.45) ADORA2AADORA1FLT3
SCHEMBL2243570 0.81 FLT3 (0.52) HPGDATRMEN1RAB9AKMT2A
SCHEMBL2238231 0.80 TMEM97 (0.38) ADORA2AADORA1CLK2
SCHEMBL2238690 0.80 HPGD (0.48) ADORA2AHPGDALDH1A1MAPK1
SCHEMBL2241820 0.78 ATR (0.45) ATRGRM5KDRROCK1
SCHEMBL2238789 0.77 CYP2D6 (0.41) DHODH

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 ADORA2A 1450/4885ADORA1 432/4885HPGD 2857/4885

“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.