SCHEMBL2494946

SCHEMBL2494946

O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.62
NR1H4 Q96RI1 3/20 0.62
PPARA Q07869 2/20 0.62
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
JAK2 O60674 2/20 0.56
JAK1 P23458 1/20 0.56
TYK2 P29597 1/20 0.56
MAPT P10636 3/20 0.56
XBP1 P17861 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KCNQ3 O43525 1/20 0.56
KCNQ2 O43526 1/20 0.56
KCNE1 P15382 1/20 0.56
KCNQ1 P51787 1/20 0.56
PTGS1 P23219 3/20 0.55
TRPV1 Q8NER1 2/20 0.55
PPARD Q03181 2/20 0.55
MEN1 O00255 3/20 0.55
LMNA P02545 3/20 0.55

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
SCHEMBL2497820 0.87 CSF1R (0.70) RAB9AJAK2MAPTKCNQ3KCNQ2
SCHEMBL27728310 0.86 CSF1R (0.64) PPARGNR1H4PPARANPC1RAB9A
SCHEMBL4254016 0.85 NPC1 (0.71) NPC1RAB9AMAPTXBP1NPSR1
SCHEMBL2497917 0.84 JAK2 (0.58) PPARGNR1H4PPARANPC1RAB9A
SCHEMBL19976062 0.84 NPC1 (0.73) PPARGNR1H4PPARANPC1RAB9A
SCHEMBL23707818 0.83 NR1H4 (0.61) PPARGNR1H4PPARANPC1RAB9A
SCHEMBL12190201 0.80 PPARG (0.55) PPARGNR1H4PPARANPC1RAB9A
SCHEMBL2493877 0.80 SMN1; SMN2 (0.78) PPARGNR1H4PPARANPC1RAB9A
SCHEMBL2500622 0.80 NPC1 (0.58) PPARGNR1H4PPARANPC1RAB9A
SCHEMBL6365067 0.79 MAPT (0.64) NPC1RAB9AMAPTXBP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 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-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 PPARG 2777/4885NR1H4 3481/4885PPARA 2902/4885

“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.