SCHEMBL2237571

SCHEMBL2237571

Cc1cccc(-c2nc(NCCc3c[nH]c4ccc(O)cc34)cc(-c3cccnc3)n2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.57
CYP2D6 P10635 10/20 0.53
CYP1A2 P05177 9/20 0.53
CYP3A4 P08684 9/20 0.53
CYP2C19 P33261 8/20 0.53
CLK4 Q9HAZ1 7/20 0.53
USP2 O75604 6/20 0.53
CYP2C9 P11712 6/20 0.53
ALDH1A1 P00352 6/20 0.53
ALOX15 P16050 4/20 0.53
HSD17B10 Q99714 3/20 0.53
GAA P10253 1/20 0.47
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
LMNA P02545 4/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 3/20 0.46
TP53 P04637 2/20 0.46

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
SCHEMBL2240068 0.90 CDK4 (0.55) SPRCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL2244808 0.88 SPR (0.59) SPRCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL2238361 0.86 PTGDR (0.49) SPRCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL2240699 0.83 CYP3A4 (0.44) CYP2D6CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL2240876 0.82 PTGDR (0.55) CYP2D6CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL2245545 0.81 CDK4 (0.49) SPRCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL2241071 0.81 CYP3A4 (0.57) SPRCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL2237567 0.81 PIK3CA (0.51) CYP2D6CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL2238410 0.78 CYP1A2 (0.53) SPRCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL2240652 0.78 CYP1A2 (0.53) SPRCYP2D6CYP1A2CYP3A4CYP2C19

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 8 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-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 1414/4885CYP2D6 1237/4885CYP1A2 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.