SCHEMBL1343789

SCHEMBL1343789

CCC(O)c1ccc(F)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.47
APLNR P35414 1/20 0.40
KCNH2 Q12809 1/20 0.40
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.35
F2RL1 P55085 3/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
GCGR P47871 1/20 0.33
F2R P25116 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL2477020 0.85 PDE2A (0.44) PDE2AAPLNRKCNH2PKMLMNA
SCHEMBL31573345 0.83 APLNR (0.39) PDE2AAPLNRPKMF2RL1CES2
SCHEMBL1345953 0.83 ADRA2C (0.46) APLNRPKMLMNA
SCHEMBL6744607 0.79 PDE2A (0.41) PDE2ALMNANPC1RAB9A
SCHEMBL22823982 0.79 PDE2A (0.49) PDE2AKCNH2LMNAGCGR
SCHEMBL29368335 0.79 PDE2A (0.49) PDE2AKCNH2LMNAGCGR
SCHEMBL1343815 0.79 APLNR (0.36) APLNRPKMCES2CES1GPR139
SCHEMBL7351671 0.79 APLNR (0.36) APLNRPKMCES2CES1GPR139
SCHEMBL7352479 0.79 CYP3A4 (0.37) APLNRPKMCES2CES1
SCHEMBL3708094 0.79 APLNR (0.43) PDE2AAPLNRKCNH2PKMF2RL1

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-8063035-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
US-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-04-08 US disclosed
EP-2155734-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008144223-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 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-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP PDE2A 2651/4885APLNR 1588/4885KCNH2 4176/4885

“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.