SCHEMBL2945477

SCHEMBL2945477

N=C(NOC(=O)ONC(=N)Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.58
KIF11 P52732 2/20 0.54
PTGS1 P23219 4/20 0.51
RAB9A P51151 2/20 0.50
TGM2 P21980 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
TRPV1 Q8NER1 3/20 0.48
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
RORC P51449 1/20 0.46

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
SCHEMBL3973745 0.81 ALDH1A1 (0.55) RAB9ATGM2NPC1MAPTALDH1A1
SCHEMBL4099319 0.80 KIF11 (0.63) EPHX2KIF11PTGS1RAB9ATGM2
SCHEMBL3969793 0.77 NPC1 (0.55) EPHX2RAB9ANPC1MAPTALDH1A1
SCHEMBL3723958 0.77 NAPRT (0.52) EPHX2RAB9ATGM2NPC1MAPT
Bicarbonate SCHEMBL2945476 0.76 KIF11 (0.62) EPHX2KIF11PTGS1RAB9ATGM2
SCHEMBL4099321 0.76 KIF11 (0.53) EPHX2KIF11PTGS1RAB9ATGM2
SCHEMBL27214948 0.75 RAB9A (0.61) EPHX2KIF11PTGS1RAB9ATGM2
SCHEMBL23328672 0.75 EPHX2 (0.51) EPHX2KIF11RAB9ATGM2NPC1
SCHEMBL3975948 0.75 NPC1 (0.59) RAB9ATGM2NPC1MAPTALDH1A1
Hydrochloric Acid SCHEMBL16701795 0.75 KIF11 (0.51) EPHX2KIF11PTGS1RAB9ATGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759357-B2 Phenylpyrimidine amines as IgE inhibitors NOVARTIS AG (CH) 2010-07-20 US disclosed
CN-101684097-A Phenylpyrimidine amines as ige inhibitors NOVARTIS AG 2010-03-31 CN disclosed
EP-1474146-B1 PHENYLPYRIMIDINE AMINES AS IGE INHIBITORS NOVARTIS AG (CH) 2008-08-27 EP disclosed
US-20070281956-A1 Phenylpyrimidine amines as IgE inhibitors NOVARTIS AG (CH) 2007-12-06 US disclosed
US-20050119255-A1 Phenylpyrimidine amines as ige inhibitors BULUSU MURTY (AT) 2005-06-02 US disclosed
CN-1622807-A Phenyl pyrimidine substituted amines as IgE inhibitors NOVARTIS AG (CH) 2005-06-01 CN disclosed
EP-1474146-A1 PHENYLPYRIMIDINE AMINES AS IGE INHIBITORS Novartis AG (CH) 2004-11-10 EP disclosed
WO-2003063871-A1 PHENYLPYRIMIDINE AMINES AS IGE INHIBITORS NOVARTIS AG (CH) 2003-08-07 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 (2 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-20070281956-A1 Phenylpyrimidine amines as IgE inhibitors FCER2, SELP, FCGR2A EPHX2 311/4885KIF11 4521/4885PTGS1 1713/4885
US-20050119255-A1 Phenylpyrimidine amines as ige inhibitors FCER2, SELP, FCGR2A EPHX2 311/4885KIF11 4521/4885PTGS1 1713/4885

“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.