SCHEMBL3545458

SCHEMBL3545458

NC1CCCN(c2nccc(Oc3cccc(C=CC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.45
CDK8 P49336 6/20 0.41
CCNC P24863 4/20 0.41
BRAF P15056 2/20 0.41
MAPT P10636 2/20 0.40
NAMPT P43490 1/20 0.40
RAF1 P04049 2/20 0.40
RET P07949 1/20 0.40
CAMK1D Q8IU85 3/20 0.39
MAP3K7 O43318 1/20 0.39
CSF1R P07333 1/20 0.39
PIM1 P11309 1/20 0.39
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
SYK P43405 1/20 0.39
BLK P51451 1/20 0.39
RIPK4 P57078 1/20 0.39
CSNK2A1 P68400 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAP2K5 Q13163 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
SCHEMBL3545457 1.00 KDR (0.45) KDRCDK8CCNCBRAFMAPT
SCHEMBL3543568 0.91 KDR (0.48) KDRCDK8CCNCBRAFMAPT
SCHEMBL3543572 0.91 KDR (0.48) KDRCDK8CCNCBRAFMAPT
SCHEMBL3544786 0.90 KDR (0.47) KDRCDK8CCNCBRAFMAPT
SCHEMBL3544780 0.90 KDR (0.47) KDRCDK8CCNCBRAFMAPT
SCHEMBL6098859 0.90 CDK8 (0.45) KDRCDK8CCNCBRAFMAPT
SCHEMBL6098842 0.90 CDK8 (0.45) KDRCDK8CCNCBRAFMAPT
SCHEMBL3543399 0.88 KDR (0.40) KDRCDK8CCNCBRAFMAPT
SCHEMBL3543394 0.88 KDR (0.40) KDRCDK8CCNCBRAFMAPT
SCHEMBL3540669 0.87 KDR (0.47) KDRCDK8CCNCBRAFMAPT

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-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US claimed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 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-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MAP3K21, HIPK4, MAP3K20 KDR 729/4885CDK8 501/4885CCNC 1080/4885

“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.