SCHEMBL3120412

SCHEMBL3120412

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

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 4/20 0.77
▸ GABBR1 Q9UBS5 4/20 0.77
▸ PDE10A Q9Y233 1/20 0.49
▸ PIM1 P11309 11/20 0.47
▸ PIM2 Q9P1W9 5/20 0.47
▸ FLT3 P36888 1/20 0.46
▸ IRAK1 P51617 2/20 0.45
▸ GALR2 O43603 1/20 0.44
▸ GALR1 P47211 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KCNH2 Q12809 2/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43

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
SCHEMBL3109197 0.87 GABBR2 (1.00) GABBR2GABBR1IRAK1GALR2GALR1
SCHEMBL3123747 0.84 GABBR2 (0.75) GABBR2GABBR1PDE10APIM1PIM2
SCHEMBL3112867 0.82 GABBR2 (0.61) GABBR2GABBR1IRAK1IRAK4
SCHEMBL3121937 0.80 GABBR2 (0.52) GABBR2GABBR1PIM1PIM2FLT3
SCHEMBL3117412 0.79 GABBR2 (0.70) GABBR2GABBR1IRAK1IRAK4
SCHEMBL27735613 0.77 GABBR2 (0.56) GABBR2GABBR1IRAK1IRAK4
SCHEMBL3122586 0.76 GABBR2 (0.67) GABBR2GABBR1PDE10AIRAK1IRAK4
SCHEMBL3122477 0.76 GABBR2 (0.78) GABBR2GABBR1IRAK1IRAK4
SCHEMBL3121907 0.76 GABBR2 (1.00) GABBR2GABBR1PDE10APIM1IRAK1
SCHEMBL3113855 0.75 ABCG2 (0.55) GABBR2GABBR1IRAK1IRAK4

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 4 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

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 1499/4885PDE10A 1353/4885

“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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