SCHEMBL2240458

SCHEMBL2240458

COc1cncc(-c2cc(NCCc3cccc4[nH]ccc34)nc(-c3cccc(C)n3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 10/20 0.46
USP2 O75604 9/20 0.42
CYP1A2 P05177 9/20 0.42
CYP3A4 P08684 9/20 0.42
CYP2D6 P10635 9/20 0.42
CYP2C19 P33261 9/20 0.42
CLK4 Q9HAZ1 9/20 0.42
CYP2C9 P11712 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 3/20 0.42
GLA P06280 2/20 0.42
HIF1A Q16665 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 1/20 0.40
PIM1 P11309 1/20 0.37
PIM3 Q86V86 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
SCHEMBL2240171 0.92 CYP3A4 (0.39) PTGDRUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL2241441 0.90 PTGDR (0.54) PTGDRUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL2240699 0.86 CYP3A4 (0.44) PTGDRUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL2238648 0.77 CYP2A6 (0.46) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2240068 0.76 CDK4 (0.55) PTGDRUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL2241460 0.75 CDK4 (0.47) PTGDRUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL2237770 0.75 CYP1A2 (0.47) PTGDRUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL4165468 0.73 TGFBR1 (0.47) CYP1A2CYP3A4CYP2C9PIM1
SCHEMBL2238361 0.71 PTGDR (0.49) PTGDRUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL4073509 0.71 CDK4 (0.43) PTGDRUSP2CYP1A2CYP3A4CYP2D6

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 10 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-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 PTGDR 1588/4885USP2 2973/4885CYP1A2 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.