Sugi Predict

Sugi Predict / Compounds / SCHEMBL1031808

SCHEMBL1031808

SCHEMBL1031808

COc1nc(N[C@H]2CC[C@H](C)CC2)ncc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 1/20 0.53
▸ GABBR1 Q9UBS5 1/20 0.53
▸ SYK P43405 2/20 0.44
▸ GALR2 O43603 2/20 0.44
▸ GALR1 P47211 2/20 0.44
▸ GRM5 P41594 1/20 0.42
▸ MAPK8 P45983 1/20 0.40
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ MAPK6 Q16659 2/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ CHRNA7 P36544 2/20 0.36
▸ VNN1 O95497 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36

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
SCHEMBL1031806 1.00 GABBR2 (0.53) GABBR2GABBR1SYKGALR2GALR1
SCHEMBL1034596 0.90 GABBR2 (0.62) GABBR2GABBR1SYKGALR2GALR1
SCHEMBL1332142 0.86 ADORA2A (0.43) GABBR2GABBR1SYKGALR2GALR1
SCHEMBL1333975 0.86 GABBR2 (0.42) GABBR2GABBR1SYKGALR2GALR1
SCHEMBL1332140 0.86 ADORA2A (0.43) GABBR2GABBR1SYKGALR2GALR1
SCHEMBL1333978 0.86 GABBR2 (0.42) GABBR2GABBR1SYKGALR2GALR1
SCHEMBL1032293 0.85 GABBR2 (0.47) GABBR2GABBR1SYKGALR2GALR1
SCHEMBL1032292 0.85 GABBR2 (0.47) GABBR2GABBR1SYKGALR2GALR1
SCHEMBL1028883 0.85 GALR2 (0.44) GABBR2GABBR1GALR2GALR1GRM5
SCHEMBL1028884 0.85 GALR2 (0.44) GABBR2GABBR1GALR2GALR1GRM5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010068863-A2 PYRIMIDINE COMPOUNDS AND METHODS OF MAKING AND USING SAME CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2010-06-17 — — WO claimed
US-8513242-B2 Pyrimidine compounds and methods of making and using same CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2013-08-20 — — US disclosed
US-20110281873-A1 Pyrimidine Compounds and Methods of Making and Using Same CYSTIC FIBROSIS FOUNDATION 2011-11-17 — — US disclosed
WO-2011008931-A2 ARYLPYRIMIDINE COMPOUNDS AND COMBINATION THERAPY COMPRISING SAME FOR TREATING CYSTIC FIBROSIS & RELATED DISORDERS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2011-01-20 — — WO disclosed
WO-2010068863-A2 PYRIMIDINE COMPOUNDS AND METHODS OF MAKING AND USING SAME CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2010-06-17 — — WO 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-20110281873-A1 Pyrimidine Compounds and Methods of Making and Using Same CFTR, GPR17, TYMS GABBR2 1369/4885GABBR1 1484/4885SYK 2154/4885

“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.