SCHEMBL3123747

SCHEMBL3123747

Cc1ncc(-c2cccc(C(F)(F)F)c2)c(NC2CCCC2)n1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 8/20 0.75
▸ GABBR1 Q9UBS5 8/20 0.75
▸ AXL P30530 1/20 0.55
▸ TYRO3 Q06418 1/20 0.55
▸ MERTK Q12866 1/20 0.55
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ IRAK1 P51617 2/20 0.47
▸ PIM1 P11309 6/20 0.47
▸ CTSC P53634 1/20 0.47
▸ PDE10A Q9Y233 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ PIM2 Q9P1W9 2/20 0.44
▸ FLT3 P36888 1/20 0.44

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
SCHEMBL3122477 0.88 GABBR2 (0.78) GABBR2GABBR1AXLTYRO3MERTK
SCHEMBL3121907 0.86 GABBR2 (1.00) GABBR2GABBR1AXLTYRO3MERTK
SCHEMBL3111419 0.85 GABBR2 (1.00) GABBR2GABBR1AXLTYRO3MERTK
SCHEMBL3118358 0.85 GABBR2 (1.00) GABBR2GABBR1AXLTYRO3MERTK
SCHEMBL3112867 0.84 GABBR2 (0.61) GABBR2GABBR1AXLTYRO3MERTK
SCHEMBL3120412 0.84 GABBR2 (0.77) GABBR2GABBR1IRAK1PIM1PDE10A
SCHEMBL3111369 0.82 GABBR2 (0.71) GABBR2GABBR1AXLTYRO3MERTK
SCHEMBL3117412 0.81 GABBR2 (0.70) GABBR2GABBR1AXLTYRO3MERTK
SCHEMBL3113911 0.81 GABBR2 (0.70) GABBR2GABBR1AXLTYRO3MERTK
SCHEMBL13248661 0.80 GABBR2 (0.72) GABBR2GABBR1AXLTYRO3MERTK

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 1499/4885AXL 1424/4885

“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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