SCHEMBL4789648

SCHEMBL4789648

Cn1c(Nc2ccc(Br)cc2F)c(C(=O)O)c2c1C(=O)CCC2

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.71
MAP2K2 P36507 1/20 0.41
ALDH1A1 P00352 1/20 0.39
DHODH Q02127 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL13984222 0.91 MAP2K1 (0.67) MAP2K1MAP2K2ALDH1A1
SCHEMBL4787240 0.88 MAP2K1 (0.71) MAP2K1MAP2K2
SCHEMBL5059677 0.86 MAP2K1 (0.70) MAP2K1MAP2K2
SCHEMBL5054773 0.83 MAP2K1 (1.00) MAP2K1MAP2K2
SCHEMBL4789057 0.83 MAP2K1 (0.79) MAP2K1
SCHEMBL4789161 0.81 MAP2K1 (1.00) MAP2K1
SCHEMBL4789157 0.81 MAP2K1 (1.00) MAP2K1
SCHEMBL4789526 0.81 MAP2K1 (1.00) MAP2K1
SCHEMBL4755553 0.81 MAP2K1 (0.70) MAP2K1MAP2K2
SCHEMBL9984031 0.80 MAP2K1 (0.50) MAP2K1MAP2K2ALDH1A1

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-20080312307-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US claimed
US-20080312307-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
US-20080312307-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
US-20080312307-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
WO-2008148034-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-04 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-20080312307-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 MAP2K1 45/4885MAP2K2 41/4885ALDH1A1 2086/4885

“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.