SCHEMBL2238435

SCHEMBL2238435

Cc1[nH]c2ccccc2c1CCNc1cc(-c2cccnc2)nc(-c2ccccn2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 2/20 0.44
ATM Q13315 1/20 0.44
PTGDR Q13258 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EIF2AK2 P19525 1/20 0.40
ALOX15 P16050 2/20 0.39
GBA1 P04062 1/20 0.39
PABPC1 P11940 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
HSD17B10 Q99714 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
SCHEMBL2239979 0.91 SPR (0.42) CYP3A4CYP2C9ATMPTGDRTDP1
SCHEMBL2242501 0.88 CYP3A4 (0.40) CYP3A4CYP2C9PTGDRALOX15USP2
SCHEMBL4773415 0.84 ADORA2A (0.43) CYP3A4CYP2C9ATMMAPTALDH1A1
SCHEMBL4765998 0.83 CYP3A4 (0.46) CYP3A4CYP2C9PTGDRTDP1ALOX15
SCHEMBL3962080 0.81 CDK4 (0.58) CYP3A4CYP2C9PTGDREIF2AK2ALOX15
SCHEMBL2237967 0.81 CYP3A4 (0.47) CYP3A4CYP2C9PTGDRALOX15GBA1
SCHEMBL4775037 0.80 EGFR (0.42) CYP3A4CYP2C9PTGDRGBA1CYP2A6
SCHEMBL2239579 0.79 CYP3A4 (0.48) CYP3A4CYP2C9TDP1EIF2AK2ALOX15
SCHEMBL2238098 0.79 PTGDR (0.53) CYP3A4CYP2C9PTGDRMAPTTDP1
SCHEMBL2240945 0.79 GBA1 (0.54) CYP3A4CYP2C9PTGDRMAPTGBA1

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 11 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
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 CYP3A4 1519/4885CYP2C9 1527/4885ATM 1117/4885

“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.