SCHEMBL2239320

SCHEMBL2239320

N#Cc1cncc(-c2cc(NCCc3c[nH]c4ccccc34)nc(-c3ccccn3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
USP2 O75604 6/20 0.47
CYP1A2 P05177 6/20 0.47
CYP3A4 P08684 6/20 0.47
CYP2D6 P10635 6/20 0.47
CYP2C19 P33261 6/20 0.47
CLK4 Q9HAZ1 6/20 0.47
MEN1 O00255 6/20 0.47
CYP2C9 P11712 4/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.45
GBA1 P04062 1/20 0.45
CDK2 P24941 2/20 0.43
ALOX5AP P20292 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
POLB P06746 1/20 0.42
SLC2A1 P11166 1/20 0.42

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
SCHEMBL2235936 0.88 GBA1 (0.52) KMT2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL2240377 0.87 GBA1 (0.47) KMT2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL4771700 0.87 ALDH1A1 (0.51) KMT2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL11968310 0.87 GBA1 (0.49) KMT2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL3962080 0.86 CDK4 (0.58) KMT2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL4768799 0.85 CYP1A2 (0.53) KMT2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL2235885 0.85 KMT2A (0.47) KMT2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL2238809 0.83 CYP1A2 (0.41) KMT2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL2237736 0.81 CDK4 (0.46) KMT2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL2237738 0.81 GBA1 (0.63) KMT2AUSP2CYP1A2CYP3A4CYP2D6

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 KMT2A 2113/4885USP2 2973/4885CYP1A2 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.