SCHEMBL2265074

SCHEMBL2265074

CC(=O)Nc1ccc(CC(N)=O)c2occc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 2/20 0.36
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.33
KMT2A Q03164 1/20 0.33
ESR2 Q92731 1/20 0.33
KCNA3 P22001 2/20 0.33
NEU3 Q9UQ49 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
SCHEMBL2261006 0.80 RXFP1 (0.39) RXFP1MAPTNPC1POLBRAB9A
SCHEMBL6662524 0.75 CYP19A1 (0.42) MAPTALDH1A1HTTLMNAKMT2A
SCHEMBL2262714 0.75 ICMT (0.36) MAPTALDH1A1HPGDCA2TSHR
SCHEMBL2260537 0.74 KCNA3 (0.39) MAPTNPC1ALDH1A1KDM4EHPGD
SCHEMBL28030687 0.69 ALDH1A1 (0.52) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL4992283 0.69 IDO1 (0.37) KCNA3
SCHEMBL4992610 0.68 KCNA3 (0.32) KCNA3
SCHEMBL2260767 0.67 PLA2G10 (0.33) MAPTCA2KCNA3
SCHEMBL2262537 0.67 ICMT (0.35) CA2
SCHEMBL4988145 0.66 SIGMAR1 (0.40) ALDH1A1KDM4ELMNATSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 US disclosed
US-8058425-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-11-15 US disclosed
US-8022065-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-08-25 US disclosed
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY 2009-04-23 US disclosed
US-7491716-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2009-02-17 US disclosed
EP-1487822-B1 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS LILLY CO ELI (US) 2007-08-01 EP disclosed
EP-1483265-B1 PURINE DERIVATIVES AS KINASE INHIBITORS LILLY CO ELI (US) 2006-11-22 EP disclosed
US-20050090483-A1 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY 2005-04-28 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 (4 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-20050090483-A1 Purine derivatives as kinase inhibitors PNP, ADK, NME2 RXFP1 2572/4885MAPT 4610/4885NPC1 2000/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 RXFP1 2572/4885MAPT 4610/4885NPC1 2000/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 RXFP1 2572/4885MAPT 4610/4885NPC1 2000/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 RXFP1 2572/4885MAPT 4610/4885NPC1 2000/4885

“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.