SCHEMBL3544971

SCHEMBL3544971

COc1c(NC(=O)C=Cc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)ccc(Cl)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA2B P08514 1/20 0.36
BCHE P06276 2/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL3544967 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL3547087 0.90 MMP1 (0.38) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL3547083 0.90 MMP1 (0.38) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL3544961 0.83 MMP1 (0.40) LMNAITGB3ITGAVITGA2BBLM
SCHEMBL3544965 0.83 MMP1 (0.40) LMNAITGB3ITGAVITGA2BBLM
SCHEMBL3553130 0.83 KDR (0.49) MEN1KMT2ABLMTDP1RAF1
SCHEMBL3553133 0.83 KDR (0.49) MEN1KMT2ABLMTDP1RAF1
SCHEMBL3543157 0.83 RAF1 (0.48) MEN1KMT2AMAPTHPGDLMNA
SCHEMBL3547582 0.81 KMT2A (0.47) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL3547584 0.81 KMT2A (0.47) ALDH1A1MEN1KMT2AMAPTNPSR1

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 ALDH1A1 2863/4885MEN1 2134/4885KMT2A 1439/4885

“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.