SCHEMBL1029359

SCHEMBL1029359

COc1ccc(-c2cnc(N[C@H]3CC[C@H](C)CC3)nc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.45
FYN P06241 1/20 0.45
SYK P43405 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.42
CYP2A6 P11509 1/20 0.42
KCNH2 Q12809 1/20 0.41
PIK3CA P42336 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
GRM5 P41594 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CDK4 P11802 1/20 0.39
GSK3B P49841 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PDE5A O76074 2/20 0.39
PDE6A P16499 1/20 0.39
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39

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
SCHEMBL1029357 1.00 HASPIN (0.45) HASPINFYNSYKIRAK4CYP2A6
SCHEMBL1032533 0.84 MAPK6 (0.47) IRAK4GRM5
SCHEMBL1032531 0.84 MAPK6 (0.47) IRAK4GRM5
SCHEMBL1033077 0.83 IRAK4 (0.47) SYKIRAK4GRM5CDK4GSK3B
SCHEMBL1033076 0.83 IRAK4 (0.47) SYKIRAK4GRM5CDK4GSK3B
SCHEMBL12125233 0.80 MAPK1 (0.47) IRAK4GRM5
SCHEMBL12125232 0.80 MAPK1 (0.47) IRAK4GRM5
SCHEMBL1332872 0.79 PDE10A (0.48) FYNSYKKCNH2PIK3CAGRM5
SCHEMBL1332871 0.79 PDE10A (0.48) FYNSYKKCNH2PIK3CAGRM5
SCHEMBL1334190 0.78 GRM5 (0.39) SYKKCNH2PIK3CAGRM5CDK4

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 HASPIN 3407/4885FYN 3955/4885SYK 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.