SCHEMBL3531599

SCHEMBL3531599

Cc1cn(-c2ccc(C#N)cc2C(F)(F)F)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.40
GRM5 P41594 4/20 0.40
TRPV4 Q9HBA0 1/20 0.40
MAPKAPK2 P49137 1/20 0.36
KIF11 P52732 1/20 0.35
HSD11B1 P28845 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
AR P10275 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1929432 0.79 POLB (0.42) CRHR1KIF11HSD11B1KDM4E
SCHEMBL3528874 0.78 MAPKAPK2 (0.47) CRHR1TRPV4MAPKAPK2KIF11CCNA2
SCHEMBL3526697 0.76 PSEN1 (0.40) CRHR1GRM5TRPV4MAPKAPK2
SCHEMBL3529026 0.75 TTR (0.41)
SCHEMBL9727195 0.71 GRM5 (0.57) GRM5CYP19A1KDM4E
SCHEMBL7311667 0.71 POLB (0.34) L3MBTL1KDM4E
SCHEMBL409405 0.69 TRPV4 (0.53) TRPV4KIF11AR
SCHEMBL20879851 0.68 POLB (0.43) CRHR1TRPV4
SCHEMBL7317980 0.68 HPGD (0.35) GRM5ARL3MBTL1KDM4E
SCHEMBL3532873 0.68 NOTUM (0.48) TRPV4HSD11B1CCNA2CDK2CCNA1

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 CRHR1 4794/4885GRM5 2869/4885TRPV4 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.