SCHEMBL3527583

SCHEMBL3527583

CCN(CC)c1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KIF11 P52732 2/20 0.41
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 2/20 0.38
CRHR1 P34998 2/20 0.38
PGR P06401 2/20 0.38
AR P10275 6/20 0.38
MRGPRX4 Q96LA9 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
SCHEMBL250976 0.81 TRPV4 (0.49) TRPV4KDM4EALDH1A1L3MBTL1KIF11
SCHEMBL6509894 0.81 TRPV4 (0.43) TRPV4KIF11CYP19A1ARMRGPRX4
SCHEMBL2584317 0.79 MRGPRX4 (0.44) TRPV4KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL3525556 0.78 TRPV4 (0.43) TRPV4KIF11CYP19A1ARMRGPRX4
SCHEMBL3410649 0.77 AR (0.44) TRPV4KIF11CYP19A1PGRAR
Water SCHEMBL27705828 0.77 CRHR1 (0.39) KDM4EALDH1A1HPGDL3MBTL1MEN1
SCHEMBL12017815 0.76 CRHR1 (0.44) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL3051276 0.75 TRPV4 (0.40) TRPV4KIF11CYP19A1PGRAR
SCHEMBL3055456 0.75 TRPV4 (0.38) TRPV4KIF11CYP19A1PGRAR
SCHEMBL3280363 0.75 PGR (0.40) TRPV4KDM4EALDH1A1HPGDMEN1

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-7655669-B2 Pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2010-02-02 US disclosed
CN-100404528-C Novel pyrimidinamine derivatives and use thereof NOVARTIS AG (CH) 2008-07-23 CN 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
CN-1684951-A Novel pyrimidinamine derivatives and use thereof NOVARTIS AG (CH) 2005-10-19 CN 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 TRPV4 3244/4885KDM4E 2764/4885ALDH1A1 2875/4885

“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.