SCHEMBL3249583

SCHEMBL3249583

CN1CCC(OCc2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.52
MET P08581 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BCHE P06276 1/20 0.47
PKM P14618 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CARM1 Q86X55 4/20 0.46
PRMT6 Q96LA8 4/20 0.46
PRMT8 Q9NR22 2/20 0.46
TSHR P16473 1/20 0.46
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL18615730 0.85 POLB (0.60) TACR1MEN1KMT2APKMKDM4E
SCHEMBL17554419 0.83 MAOB (0.57) METCHRNB4CHRNA3ALDH1A1MAOB
SCHEMBL16665158 0.82 TACR1 (0.48) TACR1MEN1KMT2AALDH1A1TSHR
SCHEMBL18047320 0.82 TACR1 (0.48) TACR1MEN1KMT2AALDH1A1TSHR
SCHEMBL15272013 0.79 TSHR (0.50) TACR1MEN1KMT2AALDH1A1TSHR
SCHEMBL374672 0.77 SLC6A2 (0.60) PKMCHRNB4CHRNA3TSHRMAOB
SCHEMBL15498175 0.77 PRMT5 (0.45) TACR1METMEN1KMT2ABCHE
SCHEMBL6250773 0.77 SLC6A2 (0.55) TACR1MEN1KMT2ATSHRMAOB
SCHEMBL23373195 0.77 CARM1 (0.70) TACR1SIGMAR1KMT2ABCHECARM1
SCHEMBL22290379 0.77 CARM1 (0.70) SIGMAR1CARM1PRMT6PRMT8MAOB

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 TACR1 1999/4885MET 2082/4885SIGMAR1 3412/4885

“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.