SCHEMBL16990649

SCHEMBL16990649

O=C(NCc1ccc(Oc2ccncc2)cc1)Nc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 5/20 0.49
FLT4 P35916 5/20 0.49
KDR P35968 5/20 0.49
GSK3B P49841 1/20 0.47
HTR2A P28223 1/20 0.46
RAF1 P04049 6/20 0.46
LTA4H P09960 2/20 0.45
MAPK14 Q16539 2/20 0.43
BRAF P15056 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
SRC P12931 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
SCHEMBL16990703 0.93 MAPK14 (0.52) FLT1FLT4KDRGSK3BRAF1
SCHEMBL16990621 0.93 GSK3B (0.46) FLT1FLT4KDRGSK3BHTR2A
SCHEMBL15574776 0.91 GSK3B (0.54) FLT1FLT4KDRGSK3BHTR2A
SCHEMBL169223 0.89 GSK3B (0.63) FLT1FLT4KDRGSK3BHTR2A
SCHEMBL16990625 0.85 RAF1 (0.56) FLT1FLT4KDRGSK3BHTR2A
SCHEMBL16990708 0.85 RAF1 (0.58) KDRGSK3BRAF1BRAFTRPV1
SCHEMBL16990689 0.83 RAF1 (0.50) GSK3BRAF1BRAFTRPV1
SCHEMBL171225 0.83 GSK3B (0.61) FLT1FLT4KDRGSK3BHTR2A
SCHEMBL170834 0.83 GSK3B (0.61) FLT1FLT4KDRGSK3BHTR2A
SCHEMBL169266 0.82 GSK3B (0.62) FLT1FLT4KDRGSK3BHTR2A

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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 FLT1 2139/4885FLT4 2680/4885KDR 404/4885

“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.