SCHEMBL2260703

SCHEMBL2260703

N#CCc1c(F)ccc2ccoc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.33
KCNA5 P22460 2/20 0.33
TRPA1 O75762 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL2263049 0.80 KCNA3 (0.34) KCNA3KCNA5
SCHEMBL954823 0.79 KCNA3 (0.33) KCNA3KCNA5MAOAMAOB
SCHEMBL28203665 0.72 TRPA1 (0.33) TRPA1MAOAMAOB
SCHEMBL5985832 0.70 HTR2A (0.48)
SCHEMBL5986461 0.70 KDM4E (0.35) TRPA1MAOAMAOB
SCHEMBL2263856 0.70 MAOA (0.32) MAOAMAOB
SCHEMBL2263808 0.69 ESR1 (0.35)
SCHEMBL954779 0.69 MAOA (0.33) KCNA3KCNA5MAOAMAOB
SCHEMBL2264025 0.69 ESR2 (0.40) KCNA3KCNA5TRPA1
SCHEMBL7104591 0.69 EGFR (0.32)

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-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-7405305-B2 Pyrrole-2, 5dione derivatives and their used as GSK-3 inhibitors ELI LILLY AND COMPANY (US) 2008-07-29 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-20050288321-A1 Kinase inhibitors ELI LILLY AND COMPANY 2005-12-29 US disclosed
CN-1639152-A Pyrrole-2, 5-dione derivatives and their use as GSK-3 inhibitors LILLY CO ELI (US) 2005-07-13 CN 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-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 KCNA3 2940/4885KCNA5 2524/4885TRPA1 3740/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 KCNA3 2940/4885KCNA5 2524/4885TRPA1 3740/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 KCNA3 2940/4885KCNA5 2524/4885TRPA1 3740/4885
US-20050288321-A1 Kinase inhibitors ABL1, MAP3K20, MAP3K19 KCNA3 2267/4885KCNA5 1993/4885TRPA1 4753/4885

“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.