SCHEMBL5760871

SCHEMBL5760871

Ic1ccc(Nc2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 5/20 0.51
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
APP P05067 1/20 0.40
PARP1 P09874 1/20 0.39
CDK1 P06493 5/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FBP1 P09467 1/20 0.36
EPHB2 P29323 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
PRKCI P41743 1/20 0.36

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
SCHEMBL2544215 0.85 CDK2 (0.46) QPCTADRA2AADRA2CADRA1DADRA1A
SCHEMBL3628524 0.80 QPCT (0.80) QPCT
SCHEMBL4740274 0.80 PARP1 (0.52) QPCTADRA2AADRA2CADRA1DADRA1A
SCHEMBL21646358 0.79 ADRA2A (0.42) QPCTADRA2AADRA2CADRA1DADRA1A
SCHEMBL14045640 0.77 IGF1R (0.46) QPCTADRA2AADRA2CADRA1DADRA1A
SCHEMBL30579943 0.76 BRAF (0.47) QPCTADRA2AADRA2CADRA1DADRA1A
SCHEMBL6625328 0.75 MAPT (0.47) QPCTADRA2AADRA2CADRA1DADRA1A
SCHEMBL2541307 0.75 EGFR (0.43) QPCTADRA2AADRA2CADRA1DADRA1A
SCHEMBL30579941 0.75 NAMPT (0.51) QPCTADRA2AADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL28348710 0.74 EGFR (0.42) QPCTADRA2AADRA2CADRA1DADRA1A

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-20060106225-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. 2006-05-18 US disclosed
EP-1482944-A4 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2006-04-19 EP disclosed
CN-1652792-A N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC (US) 2005-08-10 CN disclosed
EP-1482944-A2 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS Array Biopharma, Inc. (US) 2004-12-08 EP disclosed
US-20030216460-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA, INC. 2003-11-20 US disclosed
WO-2003077855-A2 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA, INC (US) 2003-09-25 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 (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-20060106225-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors CCNI, BRAF, CCNT1 QPCT 3782/4885ADRA2A 2913/4885ADRA2C 2552/4885
US-20030216460-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors CCNI, BRAF, CCNT1 QPCT 3593/4885ADRA2A 3066/4885ADRA2C 2654/4885

“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.