SCHEMBL6069652

SCHEMBL6069652

CN1CCN(C(=O)c2ccc(Nc3nccc(-c4ccnn4-c4ccccc4)n3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.62
CDK1 P06493 1/20 0.62
SYK P43405 13/20 0.51
IKBKB O14920 2/20 0.51
CHUK O15111 2/20 0.51
IKBKG Q9Y6K9 2/20 0.51
CCNT1 O60563 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK9 P50750 1/20 0.48
CCNA1 P78396 1/20 0.48
JAK2 O60674 1/20 0.47
KDR P35968 1/20 0.47
AURKA O14965 1/20 0.46

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
SCHEMBL6070034 0.90 MKNK1 (0.55) CDK2CDK1SYKIKBKBCHUK
SCHEMBL6070706 0.88 CDK1 (0.51) CDK2CDK1SYK
SCHEMBL6070167 0.88 SYK (0.51) CDK2CDK1SYKJAK2
SCHEMBL6070155 0.85 CAMK2D (0.61) CDK2IKBKBCHUKIKBKGCCNT1
SCHEMBL6070419 0.83 AURKA (0.52) CDK2SYKIKBKBCHUKIKBKG
SCHEMBL6070176 0.82 IKBKB (0.54) CDK2IKBKBCHUK
SCHEMBL6070028 0.80 SYK (0.46) CDK2CDK1SYKIKBKBCHUK
SCHEMBL3534358 0.80 CDK2 (0.69) CDK2CDK1SYKIKBKBCHUK
SCHEMBL8314825 0.79 MTOR (0.57) CDK2CDK1IKBKBCHUKIKBKG
SCHEMBL2848881 0.79 CDK1 (0.61) CDK2CDK1SYKIKBKBCHUK

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-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
WO-2003011837-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-13 WO 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 CDK2 190/4885CDK1 237/4885SYK 188/4885

“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.