SCHEMBL1332142

SCHEMBL1332142

COc1cc(OC(F)(F)F)ccc1-c1cnc(N[C@H]2CC[C@H](C)CC2)nc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MAPK8 P45983 1/20 0.41
GALR2 O43603 2/20 0.41
GALR1 P47211 2/20 0.41
CRHR1 P34998 3/20 0.41
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
GRM5 P41594 1/20 0.40
SYK P43405 2/20 0.39
ULK1 O75385 1/20 0.39
ULK2 Q8IYT8 1/20 0.39
RUNX1 Q01196 1/20 0.38
SSTR5 P35346 1/20 0.36
AGER Q15109 1/20 0.36
MCHR1 Q99705 2/20 0.35
ADRA2A P08913 1/20 0.35
NPY5R Q15761 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL1332140 1.00 ADORA2A (0.43) ADORA2AADORA1MAPK8GALR2GALR1
SCHEMBL1333978 0.90 GABBR2 (0.42) ADORA2AADORA1MAPK8GALR2GALR1
SCHEMBL1333975 0.90 GABBR2 (0.42) ADORA2AADORA1MAPK8GALR2GALR1
SCHEMBL1031427 0.87 ADORA2A (0.42) ADORA2AADORA1GALR2GALR1CRHR1
SCHEMBL1031428 0.87 ADORA2A (0.42) ADORA2AADORA1GALR2GALR1CRHR1
SCHEMBL1031808 0.86 GABBR2 (0.53) ADORA2AADORA1MAPK8GALR2GALR1
SCHEMBL1031806 0.86 GABBR2 (0.53) ADORA2AADORA1MAPK8GALR2GALR1
SCHEMBL1034610 0.77 GALR2 (0.53) ADORA2AADORA1GALR2GALR1GABBR2
SCHEMBL1332220 0.77 GRM5 (0.47) ADORA2AMAPK8GRM5
SCHEMBL1332223 0.77 GRM5 (0.47) ADORA2AMAPK8GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CEREVANCE LTD (GB) 2024-02-22 US claimed
EP-4211118-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR Cerevance, Inc. (US) 2023-07-19 EP claimed
WO-2022053823-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR Cerevance, Inc. (US) 2022-03-17 WO claimed
US-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CEREVANCE LTD (GB) 2024-02-22 US disclosed
EP-4211118-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR Cerevance, Inc. (US) 2023-07-19 EP disclosed
WO-2022053823-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR Cerevance, Inc. (US) 2022-03-17 WO disclosed
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-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 (2 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-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CHRNA6, CHRM2, CHRNA1 ADORA2A 45/4885ADORA1 26/4885MAPK8 4241/4885
US-20110281873-A1 Pyrimidine Compounds and Methods of Making and Using Same CFTR, GPR17, TYMS ADORA2A 158/4885ADORA1 122/4885MAPK8 3599/4885

“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.