SCHEMBL3532873

SCHEMBL3532873

N#Cc1ccc(N2CCCC2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
DPP4 P27487 2/20 0.46
TRPV4 Q9HBA0 1/20 0.45
HSD11B1 P28845 2/20 0.45
AR P10275 5/20 0.44
AOC3 Q16853 1/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
PREP P48147 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
CSF1R P07333 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL250177 0.98 NOTUM (0.47) NOTUMDPP4TRPV4HSD11B1AR
SCHEMBL20830204 0.88 DRD2 (0.49) DPP4TRPV4HSD11B1AOC3CCNA2
SCHEMBL1963730 0.86 DPP4 (0.56) DPP4TRPV4HSD11B1ARAOC3
SCHEMBL250297 0.86 CCNA2 (0.56) DPP4TRPV4HSD11B1AOC3CCNA2
SCHEMBL249912 0.86 NOTUM (0.51) NOTUMDPP4TRPV4HSD11B1AR
SCHEMBL4451927 0.86 NOTUM (0.47) NOTUMTRPV4HSD11B1ARCSF1R
SCHEMBL1968214 0.85 PDE3B (0.46) DPP4TRPV4HSD11B1AOC3CCNA2
SCHEMBL249900 0.85 DPP4 (0.45) NOTUMDPP4TRPV4HSD11B1AR
SCHEMBL28037584 0.83 NOTUM (0.47) NOTUMAR
SCHEMBL14675703 0.82 DPP4 (0.50) DPP4TRPV4HSD11B1ARAOC3

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 NOTUM 3726/4885DPP4 1448/4885TRPV4 3244/4885

“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.