SCHEMBL3528958

SCHEMBL3528958

Cc1nccn1-c1ccc(C(=O)O)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ADH5 P11766 1/20 0.43
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
TTR P02766 2/20 0.41
IDH2 P48735 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
MYC P01106 2/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 1/20 0.38
PTPN7 P35236 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RORC P51449 3/20 0.38
CYP2C9 P11712 1/20 0.38
NR3C2 P08235 1/20 0.37
RARB P10826 1/20 0.36

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
SCHEMBL12490522 0.82 RORC (0.46) KDM4EALDH1A1ADH5PDE4APDE4B
SCHEMBL16198102 0.80 ALDH1A1 (0.45) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL3529026 0.79 TTR (0.41) ADH5TTRMYCESR1ALOX15
SCHEMBL1926995 0.78 ALDH1A1 (0.49) KDM4EALDH1A1IDH2NR3C2
SCHEMBL16198239 0.77 ALDH1A1 (0.45) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL13007815 0.77 ALDH1A1 (0.55) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL4458048 0.77 CSF1R (0.46) KDM4ECSF1R
SCHEMBL2597263 0.76 NOTUM (0.51) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL4458046 0.76 BRAF (0.49) KDM4ECSF1R
SCHEMBL2466528 0.75 ALDH1A1 (0.62) KDM4EALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655669-B2 Pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2010-02-02 US disclosed
EP-1546127-B1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2007-08-08 EP disclosed
US-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2006-06-29 US disclosed
EP-1546127-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF Novartis AG (CH) 2005-06-29 EP disclosed
WO-2004029038-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2004-04-08 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-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof TYMP, NME2, DPYD KDM4E 2764/4885ALDH1A1 2875/4885ADH5 3356/4885

“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.