SCHEMBL4334335

SCHEMBL4334335

Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)O)nc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.53
MAP2K2 P36507 3/20 0.52
ABCB11 O95342 1/20 0.52
NQO2 P16083 1/20 0.52
SMC2 O95347 1/20 0.43
EGFR P00533 1/20 0.43
CSNK2A2 P19784 1/20 0.43
SMC1A Q14683 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
Q6ZSR9 Q6ZSR9 1/20 0.43
BMP2K Q9NSY1 1/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4326016 0.90 MAP2K1 (0.55) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL4321805 0.89 MAP2K1 (0.56) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL4338451 0.83 MAP2K1 (0.72) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL2880277 0.80 MAP2K1 (0.70) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL29552961 0.80 MAP2K1 (0.70) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL29990156 0.80 MAP2K1 (0.70) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL4327409 0.79 MAP2K1 (0.50) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL4321814 0.78 MAP2K1 (0.49) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL1343357 0.78 MAP2K1 (0.48) MAP2K1MAP2K2
SCHEMBL26158812 0.76 MAP2K1 (0.70) MAP2K1MAP2K2ABCB11NQO2SMC2

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-7576072-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-08-18 US disclosed
EP-1689406-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-01-17 EP disclosed
EP-1689406-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-08-16 EP disclosed
US-20050153942-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-07-14 US disclosed
WO-2005051906-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 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-20050153942-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 MAP2K1 77/4885MAP2K2 63/4885ABCB11 2169/4885

“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.