SCHEMBL3548873

SCHEMBL3548873

O=C(CCc1cccc(Oc2ccnc(C3=NCCN3)c2)c1)Nc1cccc(I)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
BRAF P15056 2/20 0.44
RAF1 P04049 1/20 0.44
RAB9A P51151 1/20 0.41
ACHE P22303 1/20 0.40
ROCK2 O75116 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
UBE2N P61088 1/20 0.38
PAX8 Q06710 1/20 0.38
LMNA P02545 1/20 0.38
FDPS P14324 1/20 0.37
FFAR1 O14842 1/20 0.37
KIT P10721 1/20 0.37
MTNR1B P49286 1/20 0.37
ALOX15 P16050 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
SCHEMBL3549509 0.90 BRAF (0.46) BRAFRAF1RAB9AROCK2MAPT
SCHEMBL3543796 0.90 RAF1 (0.44) BRAFRAF1RAB9AACHEROCK2
SCHEMBL3548623 0.90 RAF1 (0.48) BRAFRAF1RAB9AACHEROCK2
SCHEMBL3542833 0.90 KDR (0.47) BRAFRAF1RAB9AMAPTALDH1A1
SCHEMBL3540218 0.87 BRAF (0.46) BRAFRAF1RAB9AROCK2MAPT
SCHEMBL3541648 0.87 SMN1; SMN2 (0.47) BRAFRAF1RAB9AROCK2GAA
SCHEMBL3541677 0.87 BRAF (0.43) BRAFRAF1RAB9AACHEROCK2
SCHEMBL3542287 0.87 BRAF (0.50) BRAFRAF1GAAMAPTLMNA
SCHEMBL3543317 0.87 CDK8 (0.48) BRAFRAF1RAB9AACHEROCK2
SCHEMBL3541474 0.87 BRAF (0.48) BRAFRAF1RAB9A

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 TRPV1 710/4885BRAF 794/4885RAF1 693/4885

“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.