SCHEMBL2084536

SCHEMBL2084536

CC(C)(C)OC(=O)N1CCN(c2nc(C(F)(F)F)nc(-c3ccc(S(C)(=O)=O)cc3)c2-c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.49
SKP1 P63208 2/20 0.49
SKP2 Q13309 2/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
JAK2 O60674 2/20 0.46
JAK3 P52333 2/20 0.46
PTK2 Q05397 2/20 0.46
GPR119 Q8TDV5 10/20 0.45
GBA1 P04062 1/20 0.44
KIT P10721 1/20 0.43
PTGS2 P35354 2/20 0.42
PTGS1 P23219 2/20 0.42

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
SCHEMBL2078247 0.90 KMT2A (0.51) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL3398464 0.89 PDE4A (0.52) CKS1BSKP1SKP2PDE4APDE4B
SCHEMBL2085157 0.82 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL2084921 0.82 ALDH1A1 (0.52) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL2084276 0.81 PDE4A (0.46) CKS1BSKP1SKP2PDE4APDE4B
SCHEMBL2083337 0.81 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL14469016 0.81 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL2082643 0.80 PDE4A (0.51) CKS1BSKP1SKP2PDE4APDE4B
SCHEMBL2082799 0.80 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL2084529 0.79 SLC2A1 (0.48) PDE4APDE4BPDE4CPDE4DPTGS2

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
US-8420653-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-04-16 US claimed
US-7863446-B2 Heterocycles ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-01-04 US claimed
US-20100329998-A1 NOVEL HETEROCYCLES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-12-30 US claimed
US-20080207606-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2008-08-28 US claimed
US-8828999-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2014-09-09 US disclosed
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2013-07-04 US disclosed
US-8420653-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-04-16 US disclosed
US-7863446-B2 Heterocycles ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-01-04 US disclosed
US-20100329998-A1 NOVEL HETEROCYCLES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-12-30 US disclosed
US-20080207606-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2008-08-28 US 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 (3 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-20080207606-A1 Novel heterocycles GPR4, UACA, PDE4A CKS1B 307/4885SKP1 388/4885SKP2 2978/4885
US-20100329998-A1 NOVEL HETEROCYCLES UACA, GPR4, CASP4 CKS1B 322/4885SKP1 392/4885SKP2 3351/4885
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES UMPS, PNP, PDE4A CKS1B 402/4885SKP1 563/4885SKP2 1659/4885

“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.