SCHEMBL2245545

SCHEMBL2245545

Oc1ccc2c(CCNc3cc(-c4cccnc4)nc(-c4ccccn4)n3)c[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
SPR P35270 1/20 0.49
CYP3A4 P08684 6/20 0.49
CYP1A2 P05177 5/20 0.49
CYP2D6 P10635 5/20 0.49
CYP2C19 P33261 5/20 0.49
CLK4 Q9HAZ1 5/20 0.49
USP2 O75604 4/20 0.49
CYP2C9 P11712 4/20 0.49
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 2/20 0.49
GBA1 P04062 1/20 0.47
PTGDR Q13258 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TYR P14679 1/20 0.43
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2244808 0.93 SPR (0.59) CDK4CCND1SPRCYP3A4CYP1A2
SCHEMBL3962080 0.90 CDK4 (0.58) CDK4CCND1CYP3A4CYP1A2CYP2D6
SCHEMBL2241055 0.90 CYP3A4 (0.51) CDK4CCND1SPRCYP3A4CYP1A2
SCHEMBL2237840 0.90 CYP1A2 (0.49) CDK4CCND1SPRCYP3A4CYP1A2
SCHEMBL2239769 0.90 CYP1A2 (0.49) CDK4CCND1SPRCYP3A4CYP1A2
SCHEMBL2237989 0.87 CYP1A2 (0.63) CYP3A4CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL2241872 0.87 CDK4 (0.50) CDK4CCND1SPRCYP3A4CYP1A2
SCHEMBL2240988 0.86 CDK4 (0.49) CDK4CCND1SPRCYP3A4CYP1A2
SCHEMBL2238410 0.85 CYP1A2 (0.53) CDK4CCND1SPRCYP3A4CYP1A2
SCHEMBL2240652 0.85 CYP1A2 (0.53) CDK4CCND1SPRCYP3A4CYP1A2

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 CDK4 195/4885CCND1 525/4885SPR 1414/4885

“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.