SCHEMBL4501280

SCHEMBL4501280

Cc1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ VEGFA P15692 1/20 0.46
▸ EGLN1 Q9GZT9 1/20 0.46
▸ DPP4 P27487 1/20 0.45
▸ CNR2 P34972 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ IDO2 Q6ZQW0 1/20 0.42
▸ MGLL Q99685 1/20 0.41
▸ GPR119 Q8TDV5 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MTNR1B P49286 1/20 0.40
▸ ALOX15 P16050 1/20 0.40

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
SCHEMBL20818719 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EPOLBVEGFAEGLN1
SCHEMBL30476377 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EPOLBVEGFAEGLN1
SCHEMBL17109170 0.81 ALDH1A1 (0.58) ALDH1A1KDM4EPOLBVEGFAEGLN1
SCHEMBL4502120 0.81 VEGFA (0.49) ALDH1A1KDM4EPOLBVEGFAEGLN1
SCHEMBL2843836 0.80 ALDH1A1 (0.69) ALDH1A1KDM4EPOLBVEGFAEGLN1
SCHEMBL9933216 0.80 ALDH1A1 (0.72) ALDH1A1KDM4EPOLBVEGFAEGLN1
SCHEMBL6246241 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBCNR2MEN1
SCHEMBL23434788 0.79 VEGFA (0.53) ALDH1A1KDM4EPOLBVEGFAEGLN1
SCHEMBL22172322 0.79 DPP4 (0.52) ALDH1A1KDM4EPOLBVEGFAEGLN1
SCHEMBL4296908 0.79 NR1H2 (0.50) ALDH1A1KDM4EPOLBVEGFAEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 — — US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 — — US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 — — US disclosed
EP-1545528-A4 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2006-07-26 — — EP disclosed
EP-1545528-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC. (US) 2005-06-29 — — EP disclosed
US-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2004-07-22 — — US disclosed
WO-2004022712-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2004-03-18 — — 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 (2 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-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase MAPK1, MAPKAPK2, MAPK4 ALDH1A1 2371/4885KDM4E 1404/4885POLB 3632/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 ALDH1A1 1773/4885KDM4E 1711/4885POLB 3314/4885

“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.

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