SCHEMBL3872979

SCHEMBL3872979

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(C(F)(F)F)c3)nc(S(C)(=O)=O)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
SDHB P21912 4/20 0.44
GPR119 Q8TDV5 4/20 0.43
SLC6A7 Q99884 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SYK P43405 1/20 0.41
ADORA2A P29274 1/20 0.41
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCB1 P08183 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL3882842 0.97 CKS1B (0.49) RAF1BRAFCKS1BSKP1SKP2
SCHEMBL3883235 0.84 GPR119 (0.52) CKS1BSKP1SKP2GPR119
SCHEMBL3879822 0.83 TP53 (0.47) CKS1BSKP1SKP2GPR119HPGD
SCHEMBL3876001 0.81 CKS1B (0.50) CKS1BSKP1SKP2GPR119SLC6A7
SCHEMBL3879713 0.81 GPR119 (0.49) CKS1BSKP1SKP2GPR119MAPT
SCHEMBL3772450 0.77 AR (0.61) NPSR1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL3882847 0.76 GPR119 (0.49) CKS1BSKP1SKP2GPR119MEN1
SCHEMBL25460214 0.75 MAPT (0.47) CKS1BSKP1SKP2GPR119SYK
SCHEMBL16711107 0.75 HRH4 (0.48) CKS1BSKP1SKP2GPR119SYK
SCHEMBL26938062 0.74 GALR2 (0.49) CKS1BSKP1SKP2GPR119JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928842-B1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2009-11-18 EP disclosed
EP-1928842-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2008-06-11 EP disclosed
US-7326715-B2 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2008-02-05 US disclosed
US-7326715-B2 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2008-02-05 US disclosed
US-7326715-B2 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2008-02-05 US disclosed
US-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
US-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
US-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
WO-2007039470-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2007-04-12 WO disclosed
WO-2007039470-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2007-04-12 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-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives CTSK, CTSS, CTSF RAF1 147/4885BRAF 870/4885CKS1B 44/4885

“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.