SCHEMBL3545140

SCHEMBL3545140

Cc1ccnc(NC(=O)CCc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK10 P53779 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK8 P45983 1/20 0.42
GSK3A P49840 1/20 0.42
HIPK1 Q86Z02 1/20 0.42
RIOK2 Q9BVS4 1/20 0.42
SNRK Q9NRH2 1/20 0.42
RAF1 P04049 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
SCHEMBL3550060 0.91 MAPK14 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1POLB
SCHEMBL3542833 0.90 KDR (0.47) NPC1RAB9AALDH1A1POLBKMT2A
SCHEMBL3549013 0.89 RAF1 (0.47) NPC1RAB9AKMT2ATP53RAF1
SCHEMBL3544814 0.85 RAB9A (0.48) RAB9AALDH1A1POLBKMT2AMEN1
SCHEMBL3549509 0.85 BRAF (0.46) SMN1; SMN2RAB9AALDH1A1CYP2C19RAF1
SCHEMBL3545235 0.84 RAF1 (0.49) RAF1BRAF
SCHEMBL3547142 0.84 RAF1 (0.53) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL3542266 0.84 RAF1 (0.44) GSK3ARAF1BRAFGSK3BMAPK14
SCHEMBL3546511 0.83 RAF1 (0.47) SMN1; SMN2RAB9APOLBCYP2C19TP53
SCHEMBL3542358 0.83 BRAF (0.45) SMN1; SMN2RAB9AALDH1A1RAF1BRAF

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 SMN1; SMN2 4250/4885NPC1 458/4885RAB9A 4028/4885

“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.