SCHEMBL3124036

SCHEMBL3124036

CCCCc1cccc(-c2cnc(C(F)(F)F)nc2NC2CCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 7/20 0.47
▸ TYRO3 Q06418 6/20 0.47
▸ AXL P30530 4/20 0.47
▸ GABBR2 O75899 4/20 0.47
▸ GABBR1 Q9UBS5 4/20 0.47
▸ IRAK1 P51617 4/20 0.43
▸ FLT3 P36888 2/20 0.41
▸ GAS6 Q14393 1/20 0.41
▸ TLR7 Q9NYK1 2/20 0.41
▸ IRAK4 Q9NWZ3 3/20 0.41
▸ ADORA1 P30542 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37

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
SCHEMBL3115529 0.88 GABBR2 (0.55) MERTKTYRO3AXLGABBR2GABBR1
SCHEMBL3118460 0.86 GABBR2 (0.53) MERTKTYRO3AXLGABBR2GABBR1
SCHEMBL3113561 0.82 GABBR2 (0.56) MERTKTYRO3AXLGABBR2GABBR1
SCHEMBL3123882 0.79 GABBR2 (0.60) MERTKTYRO3AXLGABBR2GABBR1
SCHEMBL3121498 0.75 GABBR2 (0.67) MERTKTYRO3AXLGABBR2GABBR1
SCHEMBL3110916 0.75 PDE4A (0.42) ADORA1PDE4APDE4BPDE4CPDE4D
SCHEMBL3118196 0.73 GABBR2 (0.62) MERTKTYRO3AXLGABBR2GABBR1
SCHEMBL3118448 0.73 GABBR2 (0.63) MERTKTYRO3AXLGABBR2GABBR1
SCHEMBL3123747 0.72 GABBR2 (0.75) MERTKTYRO3AXLGABBR2GABBR1
SCHEMBL3113335 0.71 PDE4A (0.41) ADORA1PDE4APDE4BPDE4CPDE4D

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 MERTK 2986/4885TYRO3 1584/4885AXL 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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