SCHEMBL2239724

SCHEMBL2239724

CN(C)CCOc1ccc(-c2cncc(-c3cc(NCc4ccccc4)nc(-c4ccccn4)n3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
PPP1CA P62136 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACVR1B P36896 1/20 0.43
TGFBR1 P36897 1/20 0.43
CLK4 Q9HAZ1 3/20 0.42
HTR6 P50406 1/20 0.41
HDAC1 Q13547 1/20 0.41
GPR39 O43194 3/20 0.41
HSF1 Q00613 1/20 0.40
CYP3A4 P08684 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2239772 0.92 CYP3A4 (0.46) SMN1; SMN2PPP1CAL3MBTL1CLK4HTR6
SCHEMBL2239652 0.92 ROCK2 (0.40) SMN1; SMN2PPP1CAL3MBTL1ACVR1BTGFBR1
SCHEMBL2239941 0.88 ACVR1B (0.46) ACVR1BTGFBR1HSF1CYP1A2CYP2D6
SCHEMBL2240816 0.85 CHRNB2 (0.42) SMN1; SMN2PPP1CAL3MBTL1CLK4HDAC1
SCHEMBL2239935 0.82 ACVR1B (0.47) ACVR1BTGFBR1HSF1CYP1A2CYP2D6
SCHEMBL3664970 0.81 HDAC1 (0.43) ACVR1BTGFBR1CLK4HTR6HDAC1
SCHEMBL2237765 0.80 KDM4E (0.42) SMN1; SMN2ACVR1BTGFBR1HDAC1HSF1
SCHEMBL2237625 0.80 CLK4 (0.59) SMN1; SMN2PPP1CAL3MBTL1CLK4CYP3A4
SCHEMBL2241125 0.77 HRH4 (0.53) SMN1; SMN2PPP1CAL3MBTL1HTR6ALDH1A1
SCHEMBL2235911 0.77 HRH4 (0.48) SMN1; SMN2PPP1CAL3MBTL1GPR39ALDH1A1

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 SMN1; SMN2 1488/4885PPP1CA 2485/4885L3MBTL1 2361/4885

“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.