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SCHEMBL5201962

SCHEMBL5201962

COc1cc2c(ccn2N2CCC(O)(Cc3ccccc3)CC2)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 6/20 0.41
▸ PKLR P30613 1/20 0.41
▸ AVPR1A P37288 4/20 0.40
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AVPR1B P47901 1/20 0.39
▸ CCR8 P51685 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ GRIN2B Q13224 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ DRD4 P21917 2/20 0.36

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
SCHEMBL5201672 0.82 MEN1 (0.57) MEN1KMT2ADRD2DRD4
SCHEMBL5201970 0.76 NR3C1 (0.41) CYP46A1PKLRAVPR1ASLC6A4SLC6A2
SCHEMBL5732819 0.72 MEN1 (0.46) MEN1KMT2A
SCHEMBL14337920 0.68 MAPK14 (0.71) CYP46A1PKLRAVPR1AAVPR1B
SCHEMBL5374204 0.66 CYP2C9 (0.47) MEN1KMT2A
SCHEMBL5374160 0.65 MEN1 (0.56) MEN1KMT2AKIT
SCHEMBL23581415 0.65 AVPR1A (0.59) CYP46A1PKLRAVPR1AAVPR1BOPRM1
SCHEMBL8584230 0.64 ALDH1A1 (0.71) MEN1KMT2A
SCHEMBL27570841 0.62 TSHR (0.49) DRD2DRD4
SCHEMBL27597082 0.62 MEN1 (0.51) CYP46A1PKLRMEN1KMT2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304048-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-12-04 — — US disclosed
US-7291613-B2 Inhibitors of p38 kinase SCIOS, INC. (US) 2007-11-06 — — US disclosed
EP-1178983-B1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2007-10-24 — — EP disclosed
US-20070161649-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. 2007-07-12 — — US disclosed
US-7238712-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-07-03 — — US disclosed
US-7189726-B2 Benzofuran derivatives as inhibitors of p38-α kinase SCIOS, INC. (US) 2007-03-13 — — US disclosed
US-20050130965-A1 Inhibitors of p38 kinase SCIOS, INC. 2005-06-16 — — US disclosed
US-6867209-B1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2005-03-15 — — US disclosed
US-6864260-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2005-03-08 — — US disclosed
US-6821966-B2 ANTIINFLAMMATORY AGENTS SCIOS, INC. 2004-11-23 — — US disclosed
US-20030195355-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2003-10-16 — — US disclosed
EP-1341782-A2 INHIBITORS OF P38 KINASE Scios Inc. (US) 2003-09-10 — — EP disclosed
US-20030162970-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2003-08-28 — — US disclosed
US-20030158417-A1 Benzofuran derivatives as inhibitors of p38-alpha kinase SCIOS, INC. 2003-08-21 — — US disclosed
US-20030144520-A1 Indole-type derivatives as inhibitors of p38 kinase MAVUNKEL BABU J (US) 2003-07-31 — — US disclosed
US-20030092717-A1 Inhibitors of p38 kinase SCIOS, INC. 2003-05-15 — — US disclosed
WO-2002042292-A2 INDOL DERIVATIVE AND THEIR USE AS INHIBITORS OF P38 KINASE SCIOS INC. (US) 2002-05-30 — — WO disclosed
EP-1178983-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE Scios Inc. (US) 2002-02-13 — — EP disclosed
WO-2000071535-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2000-11-30 — — 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 (7 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-20050130965-A1 Inhibitors of p38 kinase MAPK1, MAPKAPK2, MAP3K1 CYP46A1 1903/4885PKLR 1101/4885AVPR1A 4046/4885
US-20070161649-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE GRK6, CSNK2A2, CSNK2A1 CYP46A1 1128/4885PKLR 2940/4885AVPR1A 2680/4885
US-20030144520-A1 Indole-type derivatives as inhibitors of p38 kinase CNKSR1, MAPK1, CSNK1A1 CYP46A1 735/4885PKLR 1346/4885AVPR1A 3274/4885
US-20030092717-A1 Inhibitors of p38 kinase MAPK1, CNKSR1, MOK CYP46A1 752/4885PKLR 946/4885AVPR1A 4227/4885
US-20030158417-A1 Benzofuran derivatives as inhibitors of p38-alpha kinase CNKSR1, CSNK2A1, CSNK1A1 CYP46A1 888/4885PKLR 1101/4885AVPR1A 4260/4885
US-20030162970-A1 Indole-type derivatives as inhibitors of p38 kinase CNKSR1, MAPK1, CSNK1A1 CYP46A1 735/4885PKLR 1346/4885AVPR1A 3274/4885
US-20030195355-A1 Indole-type derivatives as inhibitors of p38 kinase CNKSR1, MAPK1, CSNK1A1 CYP46A1 735/4885PKLR 1346/4885AVPR1A 3274/4885

“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.