SCHEMBL1334045

SCHEMBL1334045

CN(C)c1ccc(-c2cnc(N[C@H]3CC[C@H](C)CC3)nc2OCC2CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
SYK P43405 4/20 0.38
KCNH2 Q12809 2/20 0.38
AURKB Q96GD4 2/20 0.38
PDE10A Q9Y233 1/20 0.38
MELK Q14680 3/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
JUN P05412 1/20 0.36
MAPK10 P53779 1/20 0.36
PIK3C3 Q8NEB9 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
KDM1A O60341 2/20 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
SCHEMBL1334044 1.00 GRM5 (0.40) GRM5SYKKCNH2AURKBPDE10A
SCHEMBL1032779 0.91 GRM5 (0.37) GRM5SYKKCNH2AURKBPSEN1
SCHEMBL1032778 0.91 GRM5 (0.37) GRM5SYKKCNH2AURKBPSEN1
SCHEMBL3418540 0.88 GRM5 (0.43) GRM5SYKKCNH2AURKBPSEN1
SCHEMBL3418538 0.88 GRM5 (0.43) GRM5SYKKCNH2AURKBPSEN1
SCHEMBL1332871 0.85 PDE10A (0.48) GRM5SYKKCNH2PDE10AMELK
SCHEMBL1332872 0.85 PDE10A (0.48) GRM5SYKKCNH2PDE10AMELK
SCHEMBL1034758 0.82 GRM5 (0.39) GRM5SYKJUNMAPK10PIK3C3
SCHEMBL1033033 0.82 GRM5 (0.39) GRM5SYKPSEN1PSEN2APH1B
SCHEMBL1033032 0.82 GRM5 (0.39) GRM5SYKPSEN1PSEN2APH1B

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 2 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

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 GRM5 2764/4885SYK 2154/4885KCNH2 2719/4885

“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.