SCHEMBL1333978

SCHEMBL1333978

COc1nc(N[C@H]2CC[C@H](C)CC2)ncc1-c1ccc(OC(F)(F)F)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
GRM5 P41594 1/20 0.42
SYK P43405 2/20 0.41
GALR2 O43603 2/20 0.41
GALR1 P47211 2/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MAPK8 P45983 1/20 0.39
MCHR1 Q99705 1/20 0.37
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
LCK P06239 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
CYP1A2 P05177 2/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
CRHR1 P34998 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
SCHEMBL1333975 1.00 GABBR2 (0.42) GABBR2GABBR1GRM5SYKGALR2
SCHEMBL1332142 0.90 ADORA2A (0.43) GABBR2GABBR1GRM5SYKGALR2
SCHEMBL1332140 0.90 ADORA2A (0.43) GABBR2GABBR1GRM5SYKGALR2
SCHEMBL1031808 0.86 GABBR2 (0.53) GABBR2GABBR1GRM5SYKGALR2
SCHEMBL1031806 0.86 GABBR2 (0.53) GABBR2GABBR1GRM5SYKGALR2
SCHEMBL1031427 0.79 ADORA2A (0.42) GABBR2GABBR1SYKGALR2GALR1
SCHEMBL1031428 0.79 ADORA2A (0.42) GABBR2GABBR1SYKGALR2GALR1
SCHEMBL1332220 0.77 GRM5 (0.47) GRM5ADORA2AMAPK8MERTK
SCHEMBL1332223 0.77 GRM5 (0.47) GRM5ADORA2AMAPK8MERTK
SCHEMBL1034596 0.76 GABBR2 (0.62) GABBR2GABBR1SYKGALR2GALR1

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 10 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
WO-2010068863-A2 PYRIMIDINE COMPOUNDS AND METHODS OF MAKING AND USING SAME CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2010-06-17 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 GABBR2 898/4885GABBR1 949/4885GRM5 371/4885
US-20110281873-A1 Pyrimidine Compounds and Methods of Making and Using Same CFTR, GPR17, TYMS GABBR2 1369/4885GABBR1 1484/4885GRM5 2764/4885

“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.