SCHEMBL6069779

SCHEMBL6069779

c1ccc(-n2nccc2-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.57
ACVR1 Q04771 6/20 0.53
CDK2 P24941 3/20 0.53
CDK7 P50613 2/20 0.53
CDK9 P50750 2/20 0.53
WEE1 P30291 2/20 0.53
FLT3 P36888 2/20 0.53
ALK Q9UM73 2/20 0.53
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
DAPK3 O43293 1/20 0.53
PRKD3 O94806 1/20 0.53
PAK4 O96013 1/20 0.53
ABL1 P00519 1/20 0.53
FYN P06241 1/20 0.53
CSF1R P07333 1/20 0.53
RET P07949 1/20 0.53
IGF1R P08069 1/20 0.53
MET P08581 1/20 0.53
PDGFRB P09619 1/20 0.53

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 0.84 MKNK1 (0.55) CDK2CDK7CDK9IGF1RCCNE1
SCHEMBL6070155 0.78 CAMK2D (0.61) CDK2CDK9AURKAMAPK8AURKB
SCHEMBL6070502 0.76 CAMK2D (0.46) CDK8PTK2CAMK2D
SCHEMBL6070028 0.76 SYK (0.46) CDK2CDK7CDK9CDK8CCNT1
SCHEMBL6069722 0.76 HRH4 (0.48) CDK2FLT3PAK4RETPRKACA
SCHEMBL6070069 0.76 CDK2 (0.53) JAK2CDK2FLT3ABL1FLT1
SCHEMBL6069652 0.75 CDK2 (0.62) JAK2CDK2CDK9AURKAKDR
SCHEMBL344502 0.75 CDK4 (0.60) JAK2CDK2FLT3FGFR1CCNE1
SCHEMBL21275499 0.75 PLK4 (0.57) JAK2ACVR1CDK2CDK7CDK9
SCHEMBL6070419 0.75 AURKA (0.52) JAK2CDK2CDK9AURKAABL1

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 JAK2 82/4885ACVR1 263/4885CDK2 190/4885

“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.