SCHEMBL2239979

SCHEMBL2239979

Cc1[nH]c2ccc(O)cc2c1CCNc1cc(-c2cccnc2)nc(-c2ccccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.42
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 3/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HTR1D P28221 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR7 P34969 1/20 0.40
HTR3A P46098 1/20 0.40
HTR6 P50406 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGDR Q13258 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
USP2 O75604 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 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
SCHEMBL2238435 0.91 CYP3A4 (0.44) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL11968171 0.88 SPR (0.43) SPRCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL2242501 0.88 CYP3A4 (0.40) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL2244808 0.83 SPR (0.59) SPRCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL4906308 0.81 EIF2AK2 (0.48) SPRCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL2242475 0.80 PTGDR (0.54) CYP3A4CYP2C9CYP1A2CYP2D6HSD17B10
SCHEMBL4765998 0.80 CYP3A4 (0.46) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL2245545 0.80 CDK4 (0.49) SPRCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL2237967 0.78 CYP3A4 (0.47) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL2239579 0.78 CYP3A4 (0.48) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19

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 SPR 1414/4885CYP3A4 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.