SCHEMBL4248784

SCHEMBL4248784

COc1cc(Nc2nccc(N3CCCc4c(O)cccc43)n2)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.48
FLT1 P17948 2/20 0.48
FLT4 P35916 2/20 0.48
RET P07949 2/20 0.46
MAP3K14 Q99558 4/20 0.46
PKD2 Q13563 1/20 0.46
IGF1R P08069 3/20 0.43
ALK Q9UM73 2/20 0.43
SRC P12931 1/20 0.43
ZAP70 P43403 1/20 0.43
SYK P43405 1/20 0.43
EGFR P00533 1/20 0.42
CDK4 P11802 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
ROCK1 Q13464 1/20 0.40
MTOR P42345 1/20 0.40
SMG1 Q96Q15 1/20 0.40
PDGFRB P09619 1/20 0.40
PTK2 Q05397 1/20 0.39

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
SCHEMBL4244620 0.89 PTK2 (0.52) KDRFLT1RETIGF1RALK
SCHEMBL13911389 0.84 ROCK1 (0.44) KDRFLT1FLT4RETMAP3K14
SCHEMBL4245472 0.82 AIMP2 (0.42) KDRFLT1FLT4RETMAP3K14
SCHEMBL4660744 0.82 CDK2 (0.48) KDRIGF1RALKCDK4CDK2
SCHEMBL4245377 0.81 RET (0.39) KDRFLT4RETMAP3K14SYK
SCHEMBL27760699 0.80 ROCK1 (0.38) FLT4RETMAP3K14ROCK1MTOR
SCHEMBL4247112 0.80 IKBKB (0.43) KDRRETSYKCDK4CDK2
SCHEMBL4252261 0.78 CCNT1 (0.50) IGF1RCDK2GSK3BROCK1MTOR
SCHEMBL4248238 0.78 EGFR (0.56) SRCEGFR
SCHEMBL13911365 0.76 AXL (0.47) MTORSMG1

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
EP-2001864-A1 HETEROCYCLIC ORGANIC COMPOUNDS FOR THE TREATMENT OF IN PARTICULAR MELANOMA Novartis Pharma AG (CH) 2008-12-17 EP disclosed
WO-2007109045-A1 HETEROCYCLIC ORGANIC COMPOUNDS FOR THE TREATMENT OF IN PARTICULAR MELANOMA NOVARTIS AG (CH) 2007-09-27 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-20090069360-A1 Organic Compounds BRAF, MAP3K1, RAF1 KDR 37/4885FLT1 34/4885FLT4 33/4885

“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.