SCHEMBL3118448

SCHEMBL3118448

CCCCc1ccc(-c2cnc(C)nc2NC2CCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 7/20 0.63
GABBR1 Q9UBS5 7/20 0.63
MERTK Q12866 11/20 0.46
AXL P30530 4/20 0.46
TYRO3 Q06418 10/20 0.44
FLT3 P36888 8/20 0.44
GAS6 Q14393 8/20 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL3118159 0.88 GABBR2 (0.68) GABBR2GABBR1MERTKAXLTYRO3
SCHEMBL3118460 0.87 GABBR2 (0.53) GABBR2GABBR1MERTKAXLTYRO3
SCHEMBL3115529 0.84 GABBR2 (0.55) GABBR2GABBR1MERTKAXLTYRO3
SCHEMBL3121999 0.83 PDE4A (0.45) GABBR2GABBR1MERTKTYRO3FLT3
SCHEMBL3116087 0.82 GABBR2 (0.74) GABBR2GABBR1MERTKAXLTYRO3
SCHEMBL3114668 0.80 GABBR2 (0.71) GABBR2GABBR1MERTKAXLTYRO3
SCHEMBL3118347 0.80 GABBR2 (0.71) GABBR2GABBR1MERTKAXLTYRO3
SCHEMBL3116652 0.80 GABBR2 (0.75) GABBR2GABBR1MERTKAXLTYRO3
SCHEMBL3113894 0.80 GABBR2 (0.71) GABBR2GABBR1MERTKAXLTYRO3
SCHEMBL3117412 0.80 GABBR2 (0.70) GABBR2GABBR1MERTKAXLTYRO3

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 1499/4885MERTK 2986/4885

“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.