Sugi Predict

Sugi Predict / Compounds / SCHEMBL2885084

SCHEMBL2885084

SCHEMBL2885084

Cc1cc(C#N)ccc1Nc1c(C(=O)OCC2CC2)cc2[nH]c(C(N)=O)nc2c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 10/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ CSNK1D P48730 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ RAF1 P04049 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ CSNK2A2 P19784 1/20 0.32
▸ MAP2K2 P36507 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ CSNK2A3 Q8NEV1 1/20 0.32
▸ AURKC Q9UQB9 1/20 0.32

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
SCHEMBL3860786 0.93 MEN1 (0.41) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL3864888 0.91 MEN1 (0.40) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL3862127 0.89 MEN1 (0.55) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL1040177 0.89 MEN1 (0.43) MAP2K1MEN1KMT2ATDP1CHRM2
SCHEMBL1042057 0.81 MAP2K1 (0.41) MAP2K1MEN1KMT2ATDP1CHRM2
SCHEMBL5988795 0.76 MEN1 (0.55) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL2885080 0.75 MAP2K1 (0.57) MAP2K1MEN1KMT2ATDP1JAK2
SCHEMBL2877124 0.73 HPGD (0.41) MAP2K1MEN1KMT2ATDP1PARP1
SCHEMBL1042102 0.72 MAP2K1 (0.34) MAP2K1MEN1KMT2ATDP1CSNK1D
SCHEMBL5988788 0.71 MEN1 (0.55) MAP2K1MEN1KMT2ATDP1RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513293-B2 Methods of treating a hyperproliferative disorder or inhibiting cell growth in a mammal ARRAY BIOPHARMA INC. (US) 2013-08-20 — — US disclosed
US-20120277277-A1 Methods of Treating a Hyperproliferative Disorder or Inhibiting Cell Growth in a Mammal ARRAY BIOPHARMA INC. (US) 2012-11-01 — — US disclosed
US-7842816-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2010-11-30 — — US disclosed
US-7777050-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2010-08-17 — — US disclosed
US-20080171778-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-07-17 — — US disclosed
US-20070299063-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA, INC. (US) 2007-12-27 — — 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 (3 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-20080171778-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CCNI, NRAS MAP2K1 164/4885MEN1 1151/4885KMT2A 1415/4885
US-20120277277-A1 Methods of Treating a Hyperproliferative Disorder or Inhibiting Cell Growth in a Mammal PCNA, MKI67, HRAS MAP2K1 1776/4885MEN1 503/4885KMT2A 1724/4885
US-20070299063-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CCNI, NRAS MAP2K1 170/4885MEN1 1893/4885KMT2A 1407/4885

“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.