SCHEMBL3256335

SCHEMBL3256335

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 2/20 0.38
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 2/20 0.36
HTT P42858 4/20 0.36
TSHR P16473 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
LMNA P02545 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL4098980 0.75 AKR1C3 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1CYP2C9
SCHEMBL3256338 0.74 CYP11B1 (0.47) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL13382556 0.74 CYP11B1 (0.47) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL18824618 0.72 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL2012751 0.66 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ETRPV1LMNA
SCHEMBL3407409 0.66 NPC1 (0.45) ALDH1A1MAPTSMN1; SMN2KDM4EAKR1C3
SCHEMBL319105 0.64 KDM4E (0.53) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3053770 0.64 LMNA (0.39) ALDH1A1MAPTSMN1; SMN2KDM4ETRPV1
SCHEMBL5261054 0.64 CYP1A2 (0.38) ALDH1A1SMN1; SMN2KMT2AMEN1TRPV1
SCHEMBL2017648 0.64 PKM (0.37) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1

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 ALDH1A1 958/4885MAPT 1134/4885SMN1; 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.