SCHEMBL3123882

SCHEMBL3123882

CCc1ccc(-c2cnc(C(F)(F)F)nc2NC2CCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 7/20 0.60
▸ GABBR1 Q9UBS5 7/20 0.60
▸ TLR7 Q9NYK1 3/20 0.44
▸ AXL P30530 5/20 0.44
▸ TYRO3 Q06418 4/20 0.44
▸ MERTK Q12866 3/20 0.44
▸ IRAK1 P51617 1/20 0.39
▸ ULK1 O75385 1/20 0.39
▸ MALT1 Q9UDY8 1/20 0.39

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 0.89 GABBR2 (0.55) GABBR2GABBR1TLR7AXLTYRO3
SCHEMBL3121498 0.87 GABBR2 (0.67) GABBR2GABBR1TLR7AXLTYRO3
SCHEMBL3118196 0.84 GABBR2 (0.62) GABBR2GABBR1TLR7AXLTYRO3
SCHEMBL3118159 0.83 GABBR2 (0.68) GABBR2GABBR1AXLTYRO3MERTK
SCHEMBL3124036 0.79 MERTK (0.47) GABBR2GABBR1TLR7AXLTYRO3
SCHEMBL3113561 0.78 GABBR2 (0.56) GABBR2GABBR1TLR7AXLTYRO3
SCHEMBL13248661 0.76 GABBR2 (0.72) GABBR2GABBR1TLR7AXLTYRO3
SCHEMBL3121907 0.75 GABBR2 (1.00) GABBR2GABBR1AXLTYRO3MERTK
Hydrochloric Acid SCHEMBL3119417 0.75 GABBR2 (0.70) GABBR2GABBR1TLR7AXLTYRO3
SCHEMBL3111419 0.74 GABBR2 (1.00) 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 3 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

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 1499/4885TLR7 917/4885

“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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