SCHEMBL3547142

SCHEMBL3547142

Cc1cc(NC(=O)CCc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.53
BRAF P15056 2/20 0.53
NPC1 O15118 1/20 0.44
ROCK2 O75116 1/20 0.41
WDR5 P61964 2/20 0.40
PARP1 P09874 1/20 0.39
CDK8 P49336 2/20 0.39
RAB9A P51151 1/20 0.39
GSPT1 P15170 1/20 0.38
CRBN Q96SW2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KDR P35968 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL3542544 0.92 RAF1 (0.52) RAF1BRAFNPC1RAB9AGSPT1
SCHEMBL3550578 0.90 RAF1 (0.59) RAF1BRAFROCK2CDK8LMNA
SCHEMBL3545477 0.89 RAF1 (0.45) RAF1BRAFROCK2PARP1CDK8
SCHEMBL3545235 0.89 RAF1 (0.49) RAF1BRAFROCK2
SCHEMBL3549013 0.89 RAF1 (0.47) RAF1BRAFNPC1ROCK2CDK8
SCHEMBL3551282 0.89 RAF1 (0.51) RAF1BRAFROCK2CDK8LMNA
SCHEMBL3542833 0.88 KDR (0.47) RAF1BRAFNPC1RAB9AMAPT
SCHEMBL3548623 0.88 RAF1 (0.48) RAF1BRAFROCK2PARP1CDK8
SCHEMBL3542074 0.88 RAF1 (0.68) RAF1BRAFCDK8LMNAMAPT
SCHEMBL3549509 0.86 BRAF (0.46) RAF1BRAFROCK2PARP1RAB9A

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 RAF1 693/4885BRAF 794/4885NPC1 458/4885

“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.