SCHEMBL13268129

SCHEMBL13268129

Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(N[C@@H]2CCCC(C)C2)n1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 12/20 0.79
▸ GABBR1 Q9UBS5 12/20 0.79
▸ MDM2 Q00987 1/20 0.42
▸ CD38 P28907 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.41
▸ GBA1 P04062 1/20 0.39
▸ AXL P30530 2/20 0.39
▸ TYRO3 Q06418 2/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ ULK1 O75385 1/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36

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 0.89 GABBR2 (1.00) GABBR2GABBR1PDE10AAXLTYRO3
SCHEMBL3118358 0.88 GABBR2 (1.00) GABBR2GABBR1PDE10AAXLTYRO3
SCHEMBL3111419 0.88 GABBR2 (1.00) GABBR2GABBR1PDE10AAXLTYRO3
SCHEMBL3122477 0.77 GABBR2 (0.78) GABBR2GABBR1AXLTYRO3MERTK
SCHEMBL3108316 0.76 GABBR2 (1.00) GABBR2GABBR1PDE10A
SCHEMBL3119355 0.76 GABBR2 (1.00) GABBR2GABBR1
SCHEMBL3123795 0.76 GABBR2 (1.00) GABBR2GABBR1
SCHEMBL3119363 0.76 GABBR2 (1.00) GABBR2GABBR1
SCHEMBL3123805 0.76 GABBR2 (1.00) GABBR2GABBR1
SCHEMBL3119366 0.76 GABBR2 (1.00) GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 — — 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-20100179127-A1 PYRIMIDINE DERIVATIVES DPYD, NUDT1, HPRT1 GABBR2 1611/4885GABBR1 1499/4885MDM2 2134/4885

“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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