SCHEMBL2239941

SCHEMBL2239941

CNc1cc(-c2cncc(-c3ccc(OCCN(C)C)cc3)c2)nc(-c2ccccn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1B P36896 1/20 0.46
TGFBR1 P36897 1/20 0.46
HSF1 Q00613 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LSS P48449 1/20 0.39
ACHE P22303 1/20 0.39
SLC2A1 P11166 1/20 0.38
LTA4H P09960 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
PIM1 P11309 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCNE1 P24864 1/20 0.37

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
SCHEMBL2237765 0.91 KDM4E (0.42) ACVR1BTGFBR1HSF1KDM4ESLC2A1
SCHEMBL2239724 0.88 SMN1; SMN2 (0.44) ACVR1BTGFBR1HSF1KDM4ECYP1A2
SCHEMBL2240533 0.88 ADORA2A (0.42) ACVR1BTGFBR1HSF1LSSACHE
SCHEMBL2239935 0.85 ACVR1B (0.47) ACVR1BTGFBR1HSF1KDM4ECYP1A2
SCHEMBL2240891 0.85 NPC1 (0.48) KDM4EALDH1A1MEN1KMT2A
SCHEMBL2239652 0.84 ROCK2 (0.40) ACVR1BTGFBR1HSF1CYP2D6CYP2C9
SCHEMBL2239687 0.80 KDM4E (0.53) TGFBR1KDM4ECYP1A2SLC2A1KMT2A
SCHEMBL2239772 0.80 CYP3A4 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL2240368 0.80 ADORA2A (0.47) TGFBR1HSF1CHRNB2CHRNA4PIM1
SCHEMBL2241190 0.78 KDM4E (0.46) KDM4ECYP19A1

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 9 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-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 ACVR1B 9/4885TGFBR1 25/4885HSF1 4774/4885

“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.