SCHEMBL6079602

SCHEMBL6079602

Cc1[nH]c2ccc(NC(=O)c3cc(-c4ccc5[nH]c(C)c(C)c5c4)nc(N4CCOCC4)n3)cc2c1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.46
BRAF P15056 6/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
BRD4 O60885 1/20 0.44
MTOR P42345 6/20 0.43
PIK3CA P42336 6/20 0.43
PIK3CG P48736 4/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LRRK2 Q5S007 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
SCHEMBL3103022 0.89 KMT2A (0.46) RAF1BRAFLMNAPOLBHTT
SCHEMBL3108474 0.89 RAF1 (0.46) RAF1BRAFLMNAPOLBHTT
SCHEMBL425521 0.88 RAF1 (0.51) RAF1BRAFLMNAKDM4EALDH1A1
SCHEMBL3109324 0.86 ALDH1A1 (0.47) RAF1BRAFLMNAPOLBMTOR
SCHEMBL3113688 0.86 MAPT (0.48) RAF1BRAFLMNAPOLBHSD17B10
SCHEMBL427735 0.85 RAB9A (0.46) RAF1BRAFLMNAPOLBKDM4E
SCHEMBL3121338 0.85 ALDH1A1 (0.43) RAF1BRAFPOLBKDM4EALDH1A1
SCHEMBL11926322 0.84 RAF1 (0.47) RAF1BRAFHSD17B10KDM4EALDH1A1
SCHEMBL3114692 0.84 RAF1 (0.50) RAF1BRAFLMNAKDM4E
SCHEMBL3114282 0.84 THRB (0.45) RAF1BRAFLMNAPOLBHSD17B10

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-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed

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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG RAF1 2782/4885BRAF 2713/4885LMNA 4101/4885

“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.