SCHEMBL312014

SCHEMBL312014

Nc1nc(OC2CCN(C(=O)c3cc(-c4cc5ccccc5s4)ccc3F)CC2)ncc1F

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DCK P27707 17/20 0.59
▸ ATR Q13535 1/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ UBE2M P61081 1/20 0.39
▸ DCUN1D1 Q96GG9 1/20 0.39

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
SCHEMBL10172500 0.80 DCK (0.47) DCK
SCHEMBL14163233 0.79 UBE2M (0.46) UBE2MDCUN1D1
SCHEMBL311117 0.77 DCK (0.51) DCKATR
SCHEMBL10172442 0.77 DCK (0.48) DCKUBE2MDCUN1D1
SCHEMBL310866 0.71 DCK (0.56) DCK
SCHEMBL312504 0.69 DCK (0.49) DCK
SCHEMBL10172438 0.69 GPR119 (0.50) DCK
SCHEMBL10172453 0.68 DCK (0.48) DCK
SCHEMBL311256 0.63 DCK (0.73) DCK
SCHEMBL10172488 0.62 DCK (0.53) DCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093246-B2 potent deoxycytidine kinase inhibitors; O-linked pyrimidin-4-amine-based compounds LEXICON PHARMACEUTICALS, INC. (US) 2012-01-10 — — US disclosed
US-8093246-B2 potent deoxycytidine kinase inhibitors; O-linked pyrimidin-4-amine-based compounds LEXICON PHARMACEUTICALS, INC. (US) 2012-01-10 — — US disclosed
US-8093246-B2 potent deoxycytidine kinase inhibitors; O-linked pyrimidin-4-amine-based compounds LEXICON PHARMACEUTICALS, INC. (US) 2012-01-10 — — US disclosed
US-20080146571-A1 O-LINKED PYRIMIDIN-4-AMINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TO TREAT CANCER OXFORD FINANCE LLC, AS COLLATERAL AGENT 2008-06-19 — — US disclosed
US-20080146571-A1 O-LINKED PYRIMIDIN-4-AMINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TO TREAT CANCER OXFORD FINANCE LLC, AS COLLATERAL AGENT 2008-06-19 — — US disclosed
US-20080146571-A1 O-LINKED PYRIMIDIN-4-AMINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TO TREAT CANCER OXFORD FINANCE LLC, AS COLLATERAL AGENT 2008-06-19 — — 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 (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-20080146571-A1 O-LINKED PYRIMIDIN-4-AMINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TO TREAT CANCER DPYD, DHFR, TYMP DCK 46/4885ATR 1007/4885SLC2A1 3778/4885

“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.

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