SCHEMBL2238560

SCHEMBL2238560

c1ccc(-c2nc(NCc3cccc4[nH]ccc34)cc(-c3cncc(-c4nnn[nH]4)c3)n2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.35
WNT1 P04628 4/20 0.35
SLC2A1 P11166 1/20 0.35
GPR39 O43194 2/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2C9 P11712 2/20 0.33
TGFBR2 P37173 2/20 0.32
PPP1CA P62136 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
DYRK1A Q13627 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31

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
SCHEMBL2240050 0.84 CYP3A4 (0.46) TGFBR1SLC2A1ROCK2ROCK1PIM1
SCHEMBL2238809 0.83 CYP1A2 (0.41) SLC2A1GPR39ROCK2ROCK1CYP3A4
SCHEMBL2237770 0.82 CYP1A2 (0.47) CYP3A4CYP2C9SMN1; SMN2CYP1A2CYP2D6
SCHEMBL2241460 0.75 CDK4 (0.47) SLC2A1PIM1PIM3PIM2CYP3A4
SCHEMBL3721234 0.73 CYP3A4 (0.41) GPR39ROCK2ROCK1PIM1PIM3
SCHEMBL2239613 0.73 CYP3A4 (0.46) SLC2A1PIM1PIM3PIM2CYP3A4
SCHEMBL3718165 0.73 GPR39 (0.38) SLC2A1GPR39ROCK2ROCK1PIM1
SCHEMBL3721684 0.73 GPR39 (0.38) SLC2A1GPR39ROCK2ROCK1PIM1
SCHEMBL2241791 0.73 PIP4K2A (0.47) TGFBR1PIM1TGFBR2
SCHEMBL2240341 0.73 CDK4 (0.50) SLC2A1PIM1PIM2CYP3A4CYP2C9

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 TGFBR1 25/4885WNT1 1949/4885SLC2A1 3518/4885

“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.