SCHEMBL1033650

SCHEMBL1033650

CC1CCC(Nc2ncc(-c3ccc(OCC#N)cc3)c(OC3CCOCC3)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
STAT3 P40763 1/20 0.37
JAK3 P52333 1/20 0.37
GRM5 P41594 1/20 0.37
MAPK10 P53779 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 9/20 0.35
KCNH2 Q12809 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
TBK1 Q9UHD2 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL1033651 1.00 JAK2 (0.37) JAK2JAK1TYK2STAT3JAK3
SCHEMBL1334221 0.96 CNR1 (0.37) JAK2JAK1TYK2STAT3JAK3
SCHEMBL1031374 0.96 CNR1 (0.37) JAK2JAK1TYK2STAT3JAK3
SCHEMBL1031371 0.96 CNR1 (0.37) JAK2JAK1TYK2STAT3JAK3
SCHEMBL1332925 0.96 CNR1 (0.37) JAK2JAK1TYK2STAT3JAK3
SCHEMBL1334218 0.96 CNR1 (0.37) JAK2JAK1TYK2STAT3JAK3
SCHEMBL1031377 0.96 CNR1 (0.37) JAK2JAK1TYK2STAT3JAK3
SCHEMBL1332898 0.92 GRM5 (0.39) GRM5KDM4EALDH1A1MAPTHPGD
SCHEMBL1332899 0.92 GRM5 (0.39) GRM5KDM4EALDH1A1MAPTHPGD
SCHEMBL1334189 0.91 MAPK8 (0.38) JAK2JAK1TYK2STAT3JAK3

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-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 JAK2 1187/4885JAK1 1759/4885TYK2 2515/4885

“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.