SCHEMBL12424564

SCHEMBL12424564

COC(=O)c1ccc2nn(S(=O)(=O)c3ccc(C)cc3)cc2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 2/20 0.40
GBA1 P04062 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
GRM4 Q14833 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38

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
SCHEMBL12384996 0.87 KMT2A (0.43) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL1580586 0.76 OPRM1 (0.47) CA12CA1CA2CA9KMT2A
SCHEMBL2732260 0.71 L3MBTL1 (0.44) CA12CA1CA2CA9KMT2A
SCHEMBL21807392 0.71 FBP1 (0.53) CA12CA1CA2CA9KMT2A
SCHEMBL22588443 0.70 KMT2A (0.52) CA12CA1CA2CA9KMT2A
SCHEMBL28062093 0.69 CA1 (0.52) CA12CA1CA2CA9KMT2A
SCHEMBL19859664 0.69 GRM4 (0.51) CA12CA1CA2CA9KMT2A
SCHEMBL1580452 0.68 MAPT (0.39) CA12CA1CA2CA9KMT2A
SCHEMBL21875183 0.68 FBP1 (0.49) CA12CA1CA2CA9KMT2A
SCHEMBL31292418 0.68 CNR1 (0.40) KMT2AMEN1MAPTSMN1; SMN2TSHR

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
US-8841462-B2 Bicyclic heterocycles as MEK kinase inhibitors GENENTECH, INC. 2014-09-23 US disclosed
US-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENETECH, INC. (US) 2011-08-04 US disclosed
WO-2010003025-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENENTECH, INC. (US) 2010-01-07 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 (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-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS MAP2K7, MAP3K1, MAP3K5 CA12 4785/4885CA1 4669/4885CA2 4266/4885

“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.