SCHEMBL6077634

SCHEMBL6077634

O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2oc(=O)cc(C(F)(F)F)c2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.51
CA9 Q16790 4/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
AGER Q15109 1/20 0.47
RAF1 P04049 4/20 0.46
KDR P35968 3/20 0.46
MAPK14 Q16539 2/20 0.46
AR P10275 1/20 0.46
BRAF P15056 1/20 0.46
TNNI3K Q59H18 1/20 0.46
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
KMT2A Q03164 1/20 0.45
CDK8 P49336 1/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL6078413 0.87 EPHX2 (0.57) MAP2K1CA9CA1CA2AGER
SCHEMBL6078620 0.84 KMT2A (0.55) MAP2K1CA9AGERARKMT2A
SCHEMBL6077814 0.83 CA9 (0.56) MAP2K1CA9CA12CA1CA2
SCHEMBL6076379 0.81 MAP2K1 (0.53) MAP2K1CA9CA12ARKMT2A
SCHEMBL6076371 0.80 CA9 (0.55) MAP2K1CA9CA12CA1KDR
SCHEMBL6081603 0.78 MAP2K1 (0.61) MAP2K1CA9CA12ARKMT2A
SCHEMBL6077260 0.77 CA9 (0.61) MAP2K1CA9ARKMT2A
SCHEMBL13556629 0.76 RAF1 (0.72) MAP2K1CA9CA1CA2RAF1
SCHEMBL6078541 0.74 KMT2A (0.51) MAP2K1CA9KDRKMT2A
SCHEMBL6082296 0.74 MAP2K1 (0.56) MAP2K1CA9CA12ARKMT2A

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
US-7074933-B2 Urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-07-11 US claimed
EP-1603882-A2 UREA AND THIOUREA DERIVATIVES Warner-Lambert Company LLC (US) 2005-12-14 EP claimed
WO-2004072044-A2 UREA AND THIOUREA DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-08-26 WO claimed
US-7074933-B2 Urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-07-11 US disclosed
US-20040266820-A1 Urea and thiourea derivatives DU DANIEL Y (US) 2004-12-30 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-20040266820-A1 Urea and thiourea derivatives SHBG, ZP1, ZYX MAP2K1 3471/4885CA9 1294/4885CA12 1754/4885

“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.