SCHEMBL3256338

SCHEMBL3256338

CN(C)C=C(C(=O)c1ccc(Cl)cc1)c1ccnc(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.47
CYP11B2 P19099 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
MAP4K4 O95819 1/20 0.35

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
SCHEMBL13382556 1.00 CYP11B1 (0.47) CYP11B1CYP11B2SMN1; SMN2MEN1ALDH1A1
SCHEMBL5261066 0.90 CYP1A2 (0.38) CYP11B1CYP11B2SMN1; SMN2MEN1ALDH1A1
SCHEMBL5261054 0.90 CYP1A2 (0.38) CYP11B1CYP11B2SMN1; SMN2MEN1ALDH1A1
SCHEMBL19835872 0.78 CYP11B1 (0.61) CYP11B1CYP11B2SMN1; SMN2MEN1ALDH1A1
SCHEMBL21049318 0.78 CYP11B1 (0.61) CYP11B1CYP11B2SMN1; SMN2MEN1ALDH1A1
SCHEMBL6102525 0.76 CYP11B1 (0.52) CYP11B1CYP11B2SMN1; SMN2MEN1ALDH1A1
SCHEMBL6102524 0.76 CYP11B1 (0.52) CYP11B1CYP11B2SMN1; SMN2MEN1ALDH1A1
SCHEMBL4098983 0.76 CYP11B1 (0.52) CYP11B1CYP11B2SMN1; SMN2MEN1ALDH1A1
SCHEMBL5257409 0.76 CYP11B1 (0.52) CYP11B1CYP11B2SMN1; SMN2MEN1ALDH1A1
SCHEMBL4200088 0.74 CYP11B1 (0.53) CYP11B1CYP11B2MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521749-B8 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-12-22 EP disclosed
EP-1521749-B1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-05-19 EP disclosed
US-7691855-B2 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yl)-amine derivatives NOVARTIS AG (CH) 2010-04-06 US disclosed
US-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives FURET PASCAL 2006-05-18 US disclosed
EP-1521749-A1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES Novartis AG (CH) 2005-04-13 EP disclosed
WO-2004005282-A1 PHENYL-[4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2004-01-15 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-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives MKI67, CCNI, PAH CYP11B1 338/4885CYP11B2 232/4885SMN1; SMN2 2312/4885

“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.