SCHEMBL4245377

SCHEMBL4245377

CSc1ccc(Nc2nccc(N3CCCc4c(O)cccc43)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.39
ROCK1 Q13464 2/20 0.38
SYK P43405 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAP3K14 Q99558 5/20 0.36
AURKA O14965 1/20 0.36
FLT4 P35916 1/20 0.36
MKNK1 Q9BUB5 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
NFKB1 P19838 2/20 0.35
NR2C2 P49116 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
TAB1 Q15750 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
KDR P35968 2/20 0.34

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
SCHEMBL13911389 0.87 ROCK1 (0.44) RETROCK1MAPK8MAPK9MAP3K14
SCHEMBL27760699 0.85 ROCK1 (0.38) RETROCK1MAPK8MAPK9MAP3K14
SCHEMBL4247112 0.84 IKBKB (0.43) RETROCK1SYKMAPK8MAPK9
SCHEMBL4252261 0.83 CCNT1 (0.50) ROCK1AURKAJAK2
SCHEMBL4248784 0.81 KDR (0.48) RETROCK1SYKMAP3K14FLT4
SCHEMBL4660744 0.81 CDK2 (0.48) ROCK1KDR
SCHEMBL13911365 0.80 AXL (0.47)
SCHEMBL4244620 0.80 PTK2 (0.52) RETROCK1SYKMAPK8AURKA
SCHEMBL13911407 0.79 IKBKB (0.50) SYK
SCHEMBL4245519 0.77 GRM4 (0.42) SYKJAK2STK3

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-20090069360-A1 Organic Compounds CARAVATTI, GIORGIO (CH) 2009-03-12 US disclosed
US-20090069360-A1 Organic Compounds CARAVATTI, GIORGIO (CH) 2009-03-12 US disclosed
US-20090069360-A1 Organic Compounds CARAVATTI, GIORGIO (CH) 2009-03-12 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-20090069360-A1 Organic Compounds BRAF, MAP3K1, RAF1 RET 44/4885ROCK1 255/4885SYK 178/4885

“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.