SCHEMBL2240652

SCHEMBL2240652

O=C(O)c1ccc2[nH]cc(CCNc3cc(-c4cccnc4)nc(-c4ccccn4)n3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.53
CYP3A4 P08684 8/20 0.53
CYP2C19 P33261 8/20 0.53
CLK4 Q9HAZ1 8/20 0.53
CYP2D6 P10635 7/20 0.53
USP2 O75604 7/20 0.53
HSD17B10 Q99714 4/20 0.53
CYP2C9 P11712 4/20 0.53
ALDH1A1 P00352 3/20 0.53
ALOX15 P16050 3/20 0.53
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
GBA1 P04062 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
LMNA P02545 4/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
SPR P35270 1/20 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
SCHEMBL2244808 0.90 SPR (0.59) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL11968313 0.89 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL3962080 0.89 CDK4 (0.58) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL2238410 0.88 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL2239858 0.88 HPGD (0.57) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL2245206 0.88 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL2237986 0.88 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL2241071 0.88 CYP3A4 (0.57) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL4768799 0.86 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL2245545 0.85 CDK4 (0.49) CYP1A2CYP3A4CYP2C19CLK4CYP2D6

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 CYP1A2 929/4885CYP3A4 1519/4885CYP2C19 2264/4885

“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.