SCHEMBL6069697

SCHEMBL6069697

CSc1nccc(-c2[nH]ncc2I)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPK14 Q16539 5/20 0.40
CSNK1D P48730 2/20 0.40
JAK3 P52333 1/20 0.40
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
CCNA1 P78396 1/20 0.39
DYRK1A Q13627 2/20 0.38
DYRK3 O43781 1/20 0.38
DYRK2 Q92630 1/20 0.38
MAPK10 P53779 3/20 0.36
MAPK8 P45983 2/20 0.36
MAPK9 P45984 2/20 0.36
TGFBR1 P36897 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL2965363 0.79 LMNA (0.47) LMNAMAPK14CSNK1DJAK3CCNA2
SCHEMBL6070098 0.78 L3MBTL1 (0.41) LMNAMAPK14CSNK1DJAK3CCNA2
SCHEMBL6132086 0.78 TGFBR1 (0.50) LMNAMAPK14CCNA2CDK2CDK5
SCHEMBL6070097 0.77 TGFBR1 (0.60) MAPK14CDK2TGFBR1L3MBTL1KDM4E
SCHEMBL2963770 0.73 LMNA (0.47) LMNAMAPK14CCNA2CDK2CDK5
SCHEMBL6070786 0.71 LMNA (0.44) LMNAMAPK14CSNK1DJAK3CCNA2
SCHEMBL16877199 0.71 LMNA (0.42) LMNAMAPK14CSNK1DJAK3CCNA2
SCHEMBL2028076 0.69 MAPK8 (0.55) LMNAMAPK14CSNK1DJAK3CCNA2
SCHEMBL164463 0.67
SCHEMBL24251294 0.67 LMNA (0.47) LMNAMAPK14CSNK1DJAK3CCNA2

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 3 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 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 LMNA 3409/4885MAPK14 135/4885CSNK1D 1307/4885

“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.