SCHEMBL13199838

SCHEMBL13199838

C=C(C)c1cc(Br)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.35
BACE1 P56817 2/20 0.35
PDPK1 O15530 1/20 0.33
SSTR4 P31391 1/20 0.31
USP30 Q70CQ3 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL13940212 0.94 BACE1 (0.35) AAK1BACE1
SCHEMBL13199839 0.82 PDPK1 (0.32) PDPK1
SCHEMBL31268069 0.81 AAK1 (0.46) AAK1BACE1PDPK1SSTR4USP30
SCHEMBL1958367 0.81 AAK1 (0.46) AAK1BACE1PDPK1SSTR4USP30
SCHEMBL31453237 0.80 ALDH1A1 (0.40) PDPK1USP30ALDH1A1
SCHEMBL13199693 0.78 AAK1 (0.39) AAK1BACE1PDPK1ALDH1A1
SCHEMBL29833741 0.78 AAK1 (0.39) AAK1BACE1PDPK1ALDH1A1
SCHEMBL10311298 0.78 BACE1 (0.38) AAK1BACE1PDPK1SSTR4USP30
SCHEMBL1958363 0.77 AAK1 (0.41) AAK1BACE1PDPK1SSTR4USP30
SCHEMBL404990 0.77 BACE1 (0.39) AAK1BACE1PDPK1SSTR4USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 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-20090221608-A1 PYRAZOLE COMPOUNDS BRAF, RAF1, NRAS AAK1 1551/4885BACE1 2706/4885PDPK1 124/4885

“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.