SCHEMBL6071903

SCHEMBL6071903

CNC(=O)c1cc(NCc2ccc3c(c2)CCN3)ccn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.47
MAPK14 Q16539 2/20 0.39
KIT P10721 5/20 0.39
BRAF P15056 5/20 0.39
WDR5 P61964 1/20 0.39
ROCK2 O75116 1/20 0.37
GRK2 P25098 1/20 0.37
GRK3 P35626 1/20 0.37
POLB P06746 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
KDR P35968 1/20 0.37
ANO1 Q5XXA6 1/20 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
SCHEMBL6072097 0.83 KDR (0.47) PARP1MAPK14BRAFEGFRERBB2
SCHEMBL6072881 0.77 LMNA (0.49) POLB
SCHEMBL18135105 0.76 KDR (0.48) KITBRAFPOLBEGFRERBB2
SCHEMBL6072600 0.75 KDR (0.55) MAPK14BRAFKDR
SCHEMBL6071905 0.74 PARP1 (0.40) PARP1MAPK14BRAFKDR
SCHEMBL6072019 0.69 KDR (0.53) MAPK14BRAFKDR
SCHEMBL14566951 0.68 KDR (0.48) PARP1MAPK14BRAFPOLBEGFR
SCHEMBL1947345 0.67 DRD2 (0.45) POLB
SCHEMBL6131245 0.67 MAOA (0.46)
SCHEMBL12324805 0.66 DRD2 (0.57)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241149-A1 Chemical compounds ADAMS JERRY L 2006-10-26 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-20060241149-A1 Chemical compounds CHKB, MAP3K20, MAP3K6 PARP1 2785/4885MAPK14 152/4885KIT 966/4885

“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.