SCHEMBL3547602

SCHEMBL3547602

COc1ccc(NC(=O)CCc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.56
RAF1 P04049 2/20 0.56
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDR P35968 4/20 0.42
ROCK2 O75116 1/20 0.42
CDK8 P49336 6/20 0.41
RAB9A P51151 1/20 0.40
EGFR P00533 1/20 0.39
RET P07949 1/20 0.38

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
SCHEMBL3551966 0.91 RAF1 (0.57) BRAFRAF1KDRROCK2CDK8
SCHEMBL3549026 0.90 RAF1 (0.55) BRAFRAF1LMNAMAPTSMN1; SMN2
SCHEMBL3539399 0.90 RAF1 (0.56) BRAFRAF1KDRROCK2CDK8
SCHEMBL3539632 0.90 BRAF (0.56) BRAFRAF1KDRCDK8
SCHEMBL3541738 0.89 RAF1 (0.55) BRAFRAF1LMNAMAPTSMN1; SMN2
SCHEMBL3542074 0.89 RAF1 (0.68) BRAFRAF1LMNAMAPTKDR
SCHEMBL3541892 0.89 BRAF (0.55) BRAFRAF1KDRROCK2CDK8
SCHEMBL3546486 0.89 RAF1 (0.55) BRAFRAF1KDRROCK2CDK8
SCHEMBL3542489 0.89 RAF1 (0.55) BRAFRAF1KDRROCK2CDK8
SCHEMBL3541951 0.89 RAF1 (0.54) BRAFRAF1KDRROCK2CDK8

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 5 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-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-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 BRAF 794/4885RAF1 693/4885LMNA 1920/4885

“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.