SCHEMBL6070155

SCHEMBL6070155

O=C(O)c1ccc(Nc2nccc(-c3ccnn3-c3ccccc3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 4/20 0.61
AURKA O14965 9/20 0.56
AURKB Q96GD4 2/20 0.56
GSK3B P49841 5/20 0.55
CDK2 P24941 2/20 0.55
CDK4 P11802 1/20 0.55
IKBKB O14920 1/20 0.54
CHUK O15111 1/20 0.54
IKBKG Q9Y6K9 1/20 0.54
MAPK8 P45983 2/20 0.53
MAPK10 P53779 1/20 0.53
GSK3A P49840 3/20 0.53
PIK3CG P48736 1/20 0.52
CAMKK2 Q96RR4 1/20 0.52
CCNT1 O60563 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK9 P50750 1/20 0.50
CCNA1 P78396 1/20 0.50

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
SCHEMBL6070419 0.89 AURKA (0.52) CAMK2DAURKAAURKBGSK3BCDK2
SCHEMBL6070759 0.85 KCNH2 (0.45) CAMK2DAURKAAURKBGSK3BCDK2
SCHEMBL6069652 0.85 CDK2 (0.62) AURKACDK2IKBKBCHUKIKBKG
SCHEMBL6070034 0.84 MKNK1 (0.55) CAMK2DCDK2CDK4IKBKBCHUK
SCHEMBL6070069 0.79 CDK2 (0.53) GSK3BCDK2CDK4PIK3CG
SCHEMBL6069779 0.78 JAK2 (0.57) CAMK2DAURKAAURKBCDK2CDK4
SCHEMBL6069976 0.77 CDK2 (0.59) CAMK2DCDK2CDK4PIK3CGCCNT1
SCHEMBL6070176 0.76 IKBKB (0.54) CDK2IKBKBCHUK
SCHEMBL7978513 0.76 CDK2 (0.69) CAMK2DAURKAAURKBGSK3BCDK2
SCHEMBL6070706 0.75 CDK1 (0.51) CDK2

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-7109204-B2 controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents MERCK & CO., INC. (US) 2006-09-19 US claimed
US-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals MERCK SHARP & DOHME CORP. 2004-11-25 US claimed
US-7109204-B2 controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents MERCK & CO., INC. (US) 2006-09-19 US disclosed
US-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals MERCK SHARP & DOHME CORP. 2004-11-25 US disclosed
WO-2003011837-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-13 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-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals FLT4, KDR, FLT1 CAMK2D 181/4885AURKA 2545/4885AURKB 1717/4885

“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.