SCHEMBL6036034

SCHEMBL6036034

Cc1cc(I)ccc1Nc1c(C(=O)NN(C)C)cc(Br)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAP2K1 Q02750 16/20 0.49
MAP2K2 P36507 6/20 0.49
MAPK1 P28482 1/20 0.39
IDO1 P14902 1/20 0.38
PIM1 P11309 1/20 0.37
CAMK2B Q13554 1/20 0.37

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
SCHEMBL5388205 0.89 MEN1 (0.53) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL2387610 0.85 MAP2K1 (0.53) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14594276 0.85 MAP2K1 (0.51) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7161001 0.84 MEN1 (0.57) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6035714 0.83 MEN1 (0.47) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6036025 0.83 MAP2K1 (0.59) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5391585 0.82 MAP2K1 (0.56) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5384161 0.82 MEN1 (0.62) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL27573777 0.81 MAP2K1 (0.53) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL28748333 0.81 MAP2K1 (0.52) MEN1KMT2ATDP1MAP2K1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993437-B1 2-(4-BROMO OR 4-IODO PHENYLAMINO) BENZOIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2006-11-08 EP claimed
US-20030149015-A1 2-(4-bromo or 4-iodo phenylamino) benzoic acid derivatives BARRETT STEPHEN DOUGLAS (US) 2003-08-07 US claimed
US-6492363-B2 FOR THERAPY OF CANCER AND OTHER PROLIFERATIVE DISEASES SUCH AS INFLAMMATION, PSORIASIS AND RESTENOSIS, AS WELL AS STROKE, HEART FAILURE, AND IMMUNODEFICIENCY DISORDERS WARNER-LAMBERT COMPANY 2002-12-10 US claimed
US-20020022647-A1 2-(4-bromo or 4-iodo phenylamino) benzoic acid derivatives BARRETT STEPHEN DOUGLAS (US) 2002-02-21 US claimed
EP-0993437-B1 2-(4-BROMO OR 4-IODO PHENYLAMINO) BENZOIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2006-11-08 EP 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-20030149015-A1 2-(4-bromo or 4-iodo phenylamino) benzoic acid derivatives BCOR, BCL6, CBR1 MEN1 4401/4885KMT2A 2516/4885TDP1 3804/4885
US-20020022647-A1 2-(4-bromo or 4-iodo phenylamino) benzoic acid derivatives BCOR, BCL6, CBR1 MEN1 4401/4885KMT2A 2516/4885TDP1 3804/4885

“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.