SCHEMBL3118347

SCHEMBL3118347

Cc1ncc(-c2ccc(Cl)cc2)c(NC2CCCC2)n1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 7/20 0.71
GABBR1 Q9UBS5 7/20 0.71
AXL P30530 2/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
TYRO3 Q06418 3/20 0.46
CRHR1 P34998 2/20 0.46
MAPK8 P45983 2/20 0.44
MAPK9 P45984 2/20 0.44
MAPK10 P53779 2/20 0.44
IRAK1 P51617 1/20 0.43
MERTK Q12866 1/20 0.43
TP53 P04637 1/20 0.42
KMT2A Q03164 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
SCHEMBL3116087 0.89 GABBR2 (0.74) GABBR2GABBR1AXLADORA3ADORA2A
SCHEMBL3116652 0.86 GABBR2 (0.75) GABBR2GABBR1AXLADORA3ADORA2A
SCHEMBL3114668 0.86 GABBR2 (0.71) GABBR2GABBR1AXLADORA3ADORA2A
SCHEMBL3113894 0.86 GABBR2 (0.71) GABBR2GABBR1AXLADORA3ADORA2A
SCHEMBL3117412 0.86 GABBR2 (0.70) GABBR2GABBR1AXLADORA3ADORA2A
SCHEMBL3118159 0.84 GABBR2 (0.68) GABBR2GABBR1AXLTYRO3IRAK1
SCHEMBL3111016 0.84 GABBR2 (0.74) GABBR2GABBR1AXLADORA3ADORA2A
SCHEMBL3124313 0.83 GABBR2 (0.67) GABBR2GABBR1AXLTYRO3IRAK1
SCHEMBL3119338 0.83 CRHR1 (0.59) GABBR2GABBR1AXLADORA3ADORA2A
SCHEMBL3122586 0.83 GABBR2 (0.67) GABBR2GABBR1AXLADORA3ADORA2A

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 1499/4885AXL 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.