SCHEMBL2989263

SCHEMBL2989263

CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc5cccnc45)cc3c21

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 20/20 0.71
MAPK1 P28482 1/20 0.67
MAP2K1 Q02750 1/20 0.67

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
SCHEMBL2993727 0.86 MAPKAPK2 (0.76) MAPKAPK2MAPK1MAP2K1
SCHEMBL13248397 0.84 MAPKAPK2 (0.70) MAPKAPK2MAPK1MAP2K1
SCHEMBL2990198 0.84 MAPKAPK2 (0.80) MAPKAPK2MAPK1MAP2K1
SCHEMBL13248469 0.84 MAPKAPK2 (0.80) MAPKAPK2MAPK1MAP2K1
SCHEMBL3001686 0.83 MAPKAPK2 (0.78) MAPKAPK2MAPK1MAP2K1
SCHEMBL13248420 0.81 MAPKAPK2 (1.00) MAPKAPK2MAPK1MAP2K1
SCHEMBL13248415 0.81 MAPKAPK2 (0.75) MAPKAPK2MAPK1MAP2K1
SCHEMBL2994730 0.81 MAPKAPK2 (1.00) MAPKAPK2MAPK1MAP2K1
SCHEMBL3005586 0.80 MAPKAPK2 (1.00) MAPKAPK2MAPK1MAP2K1
SCHEMBL3001283 0.80 MAPKAPK2 (0.73) MAPKAPK2MAPK1MAP2K1

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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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 (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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885MAPK1 33/4885MAP2K1 65/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885MAPK1 33/4885MAP2K1 65/4885

“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.