Sugi Predict

Sugi Predict / Compounds / SCHEMBL696923

SCHEMBL696923

SCHEMBL696923

O=c1cc(Nc2ccc(Br)cc2F)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c2n1CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.43
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MAP2K1 Q02750 2/20 0.38
▸ MAP2K2 P36507 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ MOGAT2 Q3SYC2 3/20 0.37
▸ MGAT2 Q10469 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ DNMT1 P26358 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ OXTR P30559 1/20 0.35
▸ AVPR1A P37288 1/20 0.35
▸ ALDH1A1 P00352 1/20 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
SCHEMBL695623 0.91 MAPT (0.40) MAPTMAP2K1MAP2K2LMNAALOX15
SCHEMBL696448 0.82 MAP2K1 (0.41) MAPTMAP2K1MAP2K2ALOX15TSHR
SCHEMBL697078 0.81 MAP2K1 (0.40) MAPTMAP2K1MAP2K2LMNAALOX15
SCHEMBL697138 0.78 MAP2K1 (0.38) MAPTMAP2K1MAP2K2LMNAALOX15
SCHEMBL697394 0.75 MAP2K1 (0.47) MAPTMAP2K1MAP2K2ALDH1A1
SCHEMBL696727 0.75 MAP2K1 (0.43) MAPTMAP2K1MAP2K2ALOX15TSHR
SCHEMBL696419 0.74 MAP2K1 (0.43) MAP2K1MAP2K2ALDH1A1
SCHEMBL698475 0.73 MAP2K1 (0.55) MAP2K1MAP2K2
SCHEMBL13148371 0.73 MAP2K1 (0.52) MAP2K1MAP2K2ALDH1A1
SCHEMBL697791 0.72 MAP2K1 (0.43) MAPTMAP2K1MAP2K2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421612-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS Novartis AG (CH) 2012-02-29 — — EP claimed
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 — — WO claimed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 — — US claimed
EP-2421612-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS Novartis AG (CH) 2012-02-29 — — EP disclosed
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 — — WO disclosed
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 — — WO disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 — — US disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 — — US disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 — — 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-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NRAS, BRAF, MAP3K1 KDM1A 965/4885CYP2D6 954/4885CYP2C9 1270/4885

“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.