SCHEMBL2995014

SCHEMBL2995014

NCC1Cc2c([nH]c3ccc(C(=O)Nc4cccnc4)cc23)C(=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 17/20 1.00
MAPK1 P28482 1/20 0.59
MAP2K1 Q02750 1/20 0.59
RPS6KA3 P51812 3/20 0.56
NAMPT P43490 1/20 0.43

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
SCHEMBL2999010 0.93 MAPKAPK2 (1.00) MAPKAPK2MAPK1MAP2K1RPS6KA3NAMPT
SCHEMBL2994749 0.89 MAPKAPK2 (0.82) MAPKAPK2MAPK1MAP2K1RPS6KA3NAMPT
SCHEMBL2999523 0.87 MAPKAPK2 (0.80) MAPKAPK2MAPK1MAP2K1RPS6KA3NAMPT
SCHEMBL2992197 0.86 MAPKAPK2 (0.75) MAPKAPK2MAPK1MAP2K1RPS6KA3
SCHEMBL2996302 0.84 MAPKAPK2 (0.75) MAPKAPK2MAPK1MAP2K1RPS6KA3NAMPT
SCHEMBL3001660 0.83 MAPKAPK2 (0.71) MAPKAPK2RPS6KA3
SCHEMBL2997900 0.80 MAPKAPK2 (1.00) MAPKAPK2MAPK1MAP2K1
SCHEMBL2998184 0.80 MAPKAPK2 (1.00) MAPKAPK2MAPK1MAP2K1RPS6KA3
SCHEMBL13268148 0.79 MAPKAPK2 (0.68) MAPKAPK2MAPK1
SCHEMBL2996144 0.79 MAPKAPK2 (0.89) MAPKAPK2MAPK1MAP2K1RPS6KA3NAMPT

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.