SCHEMBL3117355

SCHEMBL3117355

Cc1ncc(-c2ccc(C(F)(F)F)cn2)c(NC2CCCC2)n1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 8/20 0.74
▸ GABBR1 Q9UBS5 8/20 0.74
▸ GCK P35557 2/20 0.47
▸ GCKR Q14397 2/20 0.47
▸ TYRO3 Q06418 8/20 0.45
▸ MERTK Q12866 7/20 0.45
▸ FLT3 P36888 5/20 0.45
▸ GAS6 Q14393 5/20 0.45
▸ AXL P30530 5/20 0.41
▸ ULK1 O75385 1/20 0.40
▸ SMO Q99835 1/20 0.38

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
SCHEMBL3121907 0.85 GABBR2 (1.00) GABBR2GABBR1TYRO3MERTKAXL
SCHEMBL3118358 0.84 GABBR2 (1.00) GABBR2GABBR1TYRO3MERTKAXL
SCHEMBL3111419 0.84 GABBR2 (1.00) GABBR2GABBR1TYRO3MERTKAXL
SCHEMBL3111369 0.81 GABBR2 (0.71) GABBR2GABBR1GCKGCKRTYRO3
SCHEMBL3122477 0.81 GABBR2 (0.78) GABBR2GABBR1TYRO3MERTKAXL
SCHEMBL3113911 0.81 GABBR2 (0.70) GABBR2GABBR1TYRO3MERTKAXL
SCHEMBL3123747 0.79 GABBR2 (0.75) GABBR2GABBR1TYRO3MERTKFLT3
SCHEMBL3111393 0.77 GABBR2 (0.65) GABBR2GABBR1ULK1
SCHEMBL13248661 0.77 GABBR2 (0.72) GABBR2GABBR1TYRO3MERTKAXL
Hydrochloric Acid SCHEMBL3119417 0.76 GABBR2 (0.70) GABBR2GABBR1TYRO3MERTKAXL

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-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 — — US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 — — US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 — — US disclosed
CN-101193868-A Pyrimidine derivatives for the treatment of GABA B mediated nervous system disorders NOVARTIS AG (CH) 2008-06-04 — — CN disclosed
EP-1896428-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OP GABA B MEDIATED NERVOUS SYSTEM DISORDERS Novartis AG (CH) 2008-03-12 — — EP disclosed
WO-2006136442-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OP GABA B MEDIATED NERVOUS SYSTEM DISORDERS NOVARTIS AG (CH) 2006-12-28 — — 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-20100179127-A1 PYRIMIDINE DERIVATIVES DPYD, NUDT1, HPRT1 GABBR2 1611/4885GABBR1 1499/4885GCK 1593/4885

“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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