SCHEMBL2265198

SCHEMBL2265198

NC(=O)Cc1c(F)c(F)cc2ccoc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.34
MAOA P21397 1/20 0.33
CFD P00746 4/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
XDH P47989 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
HTT P42858 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
SCHEMBL2263856 0.81 MAOA (0.32) MAOACTNNB1WNT3A
SCHEMBL27616631 0.76 MAOA (0.32) MAOA
SCHEMBL2266546 0.75 ICMT (0.37) CFDKDM4EPOLBMAPTHSD17B10
SCHEMBL28207133 0.74 CA2 (0.41) HTT
SCHEMBL2262537 0.73 ICMT (0.35) CFD
SCHEMBL2263049 0.72 KCNA3 (0.34) XDHSLC22A12
SCHEMBL12984831 0.69 CES2 (0.40)
SCHEMBL6390159 0.67 MAPK8 (0.49) KDM4EMAPT
SCHEMBL2566904 0.67 CES2 (0.40) MAOAHTT
SCHEMBL18876041 0.66 TRPA1 (0.36) MAOAKDM4EPOLBMAPTHSD17B10

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 6 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MAP2K1 179/4885MAOA 3011/4885CFD 4563/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MAP2K1 179/4885MAOA 3011/4885CFD 4563/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MAP2K1 179/4885MAOA 3011/4885CFD 4563/4885

“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.