SCHEMBL595652

SCHEMBL595652

CC(O)COc1cnc(F)cc1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.35
KDR P35968 4/20 0.34
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
CYP3A4 P08684 2/20 0.30
FGFR1 P11362 2/20 0.30
EPHB6 O15197 1/20 0.30
RIPK2 O43353 1/20 0.30
STK10 O94804 1/20 0.30
MAP4K4 O95819 1/20 0.30
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
LCK P06239 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
HCK P08631 1/20 0.30
PDGFRB P09619 1/20 0.30
KIT P10721 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL594407 0.75 XDH (0.30) XDH
SCHEMBL29965599 0.75 XDH (0.30) XDH
SCHEMBL595130 0.74 KDM4E (0.35)
SCHEMBL3635314 0.74 TLR8 (0.33) PDGFRBPDGFRA
SCHEMBL29965036 0.73 P2RX3 (0.37) LMNAP2RX3P2RX2CYP3A4PDGFRB
SCHEMBL15141851 0.73 P2RX3 (0.37) LMNAP2RX3P2RX2CYP3A4PDGFRB
SCHEMBL765428 0.72 LMNA (0.41) LMNACYP2C19
SCHEMBL595924 0.72 TDP1 (0.41)
SCHEMBL594120 0.72 PDE2A (0.30)
SCHEMBL594921 0.71 KDM4E (0.38)

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-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 US disclosed
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-05-27 US disclosed
EP-2155735-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008144222-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-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP LMNA 4572/4885CYP2C19 831/4885KDR 782/4885

“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.