SCHEMBL6069722

SCHEMBL6069722

c1ccc(-n2nccc2-c2ccnc(NCC3CCNCC3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.48
VCP P55072 1/20 0.47
IRAK4 Q9NWZ3 3/20 0.44
USP30 Q70CQ3 2/20 0.44
MAPK8 P45983 1/20 0.44
PAK4 O96013 1/20 0.43
PAK1 Q13153 1/20 0.43
CDC7 O00311 2/20 0.41
CDK2 P24941 2/20 0.41
ROCK2 O75116 1/20 0.41
CCNB2 O95067 1/20 0.41
MAP4K4 O95819 1/20 0.41
CDK1 P06493 1/20 0.41
RET P07949 1/20 0.41
CCNB1 P14635 1/20 0.41
PRKACA P17612 1/20 0.41
GSK3B P49841 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41

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
SCHEMBL26505540 0.78 HRH4 (0.50) HRH4VCPIRAK4USP30MAPK8
SCHEMBL6069779 0.76 JAK2 (0.57) MAPK8PAK4CDK2CDK1RET
SCHEMBL3648469 0.73 VCP (0.53) HRH4VCPIRAK4USP30PAK4
SCHEMBL761678 0.70 HRH4 (0.54) HRH4IRAK4PAK4PAK1CDC7
SCHEMBL5778550 0.70 HRH4 (0.59) HRH4VCPIRAK4PAK4PAK1
SCHEMBL6070034 0.69 MKNK1 (0.55) MAPK8CDK2CDK1MKNK2CCNA2
SCHEMBL12572739 0.69 CDC7 (0.47) HRH4VCPIRAK4USP30PAK4
SCHEMBL26505538 0.69 CDK2 (0.47) HRH4VCPIRAK4MAPK8PAK4
Hydrochloric Acid SCHEMBL2021469 0.68 CDC7 (0.46) HRH4VCPIRAK4USP30PAK4
SCHEMBL6070069 0.68 CDK2 (0.53) CDK2GSK3BFLT3

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
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

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 HRH4 2866/4885VCP 4780/4885IRAK4 44/4885

“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.