SCHEMBL14340663

SCHEMBL14340663

COc1c(C(C)C)cc(C2(C)CC2)cc1-n1ccnn1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 4/20 0.35

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
SCHEMBL14340702 0.83 KDM4E (0.34) —
SCHEMBL13688766 0.81 NOTUM (0.35) NOTUM
SCHEMBL14364553 0.80 — —
SCHEMBL14364554 0.78 CYP11B1 (0.38) —
SCHEMBL13843679 0.76 NOTUM (0.37) NOTUM
SCHEMBL20150107 0.72 NOTUM (0.47) NOTUM
SCHEMBL14340660 0.71 ALOX5 (0.38) —
SCHEMBL13690270 0.71 POLB (0.33) —
SCHEMBL13690271 0.67 P2RX3 (0.31) —
SCHEMBL21030754 0.65 NOTUM (0.54) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867646-A1 Cytokine inhibitors Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2007-12-19 — — EP disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 — — US disclosed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 — — 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 (1 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-20070275946-A1 Cytokine Inhibitors IL1B, TNF, IL1A NOTUM 2447/4885

“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.

Send feedback