SCHEMBL2239882

SCHEMBL2239882

Cn1cc(CCNc2cc(-c3cccnc3)nc(-c3ccccn3)n2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 2/20 0.42
HTR6 P50406 2/20 0.40
GBA1 P04062 1/20 0.39
CYP2A6 P11509 1/20 0.39
USP2 O75604 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GSK3B P49841 1/20 0.39
SLC2A1 P11166 1/20 0.39
CDK2 P24941 1/20 0.38
ROS1 P08922 3/20 0.38
IP6K1 Q92551 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.38

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
SCHEMBL4771517 0.91 PTGDR (0.40) PTGDRCYP3A4CYP2C9CYP2A6USP2
SCHEMBL2242579 0.88 HTR6 (0.41) PTGDRCYP3A4CYP2C9HTR6GBA1
SCHEMBL2244237 0.83 CYP3A4 (0.47) CYP3A4CYP2C9CYP2A6USP2CYP1A2
SCHEMBL4775435 0.80 HTR1A (0.40) PTGDRCYP3A4CYP2C9HTR6ROS1
SCHEMBL2237295 0.80 CYP2A6 (0.45) PTGDRCYP3A4CYP2C9GBA1CYP2A6
SCHEMBL3962080 0.80 CDK4 (0.58) PTGDRCYP3A4CYP2C9GBA1USP2
SCHEMBL2243750 0.80 PTGDR (0.41) PTGDRCYP3A4CYP2C9GBA1CYP2A6
SCHEMBL2238098 0.79 PTGDR (0.53) PTGDRCYP3A4CYP2C9GBA1CYP2A6
SCHEMBL2240945 0.79 GBA1 (0.54) PTGDRCYP3A4CYP2C9GBA1CYP2A6
SCHEMBL2239000 0.79 CYP3A4 (0.44) PTGDRCYP3A4CYP2C9GBA1CYP2A6

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 12 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-1878733-A1 Pyrimidine derivatives as ALK-5 inhibitors Novartis AG (CH) 2008-01-16 EP 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
EP-1878733-A1 Pyrimidine derivatives as ALK-5 inhibitors Novartis AG (CH) 2008-01-16 EP 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 1588/4885CYP3A4 1519/4885CYP2C9 1527/4885

“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.