SCHEMBL21943537

SCHEMBL21943537

CC1CN(c2nc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)c3cn(C)nc3n2)CC(C)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
BRAF P15056 14/20 0.48
KDR P35968 4/20 0.48
PDGFRB P09619 2/20 0.45
FGFR1 P11362 2/20 0.45
NTRK1 P04629 2/20 0.45
KIT P10721 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
TEK Q02763 1/20 0.45
ESYT2 A0FGR8 1/20 0.45
HACL2 A1L0T0 1/20 0.45
NBAS A2RRP1 1/20 0.45
GTPBP10 A4D1E9 1/20 0.45
CNOT1 A5YKK6 1/20 0.45
TBKBP1 A7MCY6 1/20 0.45
AGPS O00116 1/20 0.45
ACOT7 O00154 1/20 0.45

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
SCHEMBL21943540 0.90 BRAF (0.50) LMNASMN1; SMN2BRAFKDRPDGFRB
SCHEMBL21943411 0.89 BRAF (0.53) LMNASMN1; SMN2BRAFKDRPDGFRB
SCHEMBL21943326 0.82 LMNA (0.49) LMNASMN1; SMN2BRAFKDRPDGFRB
SCHEMBL21944061 0.82 LMNA (0.51) LMNASMN1; SMN2BRAFKDRPDGFRB
SCHEMBL21944043 0.81 BRAF (0.55) LMNABRAFKDRPDGFRBFGFR1
SCHEMBL21943324 0.81 LMNA (0.51) LMNASMN1; SMN2BRAFKDRPDGFRB
SCHEMBL21943762 0.79 BRAF (0.57) LMNABRAFKDRPDGFRBFGFR1
SCHEMBL21944046 0.79 BRAF (0.66) LMNABRAFKDRPDGFRBFGFR1
SCHEMBL21942995 0.78 RAF1 (0.61) LMNABRAFPDGFRBFGFR1NTRK1
SCHEMBL21943424 0.78 BRAF (0.68) LMNABRAFKDRPDGFRBFGFR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof XIAMEN UNIVERSITY (CN) 2022-05-03 US disclosed
US-20200123162-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF XIAMEN UNIVERSITY (CN) 2020-04-23 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 (2 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-20200123162-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF CYP4A11, CYP2D6, CYP3A43 LMNA 1474/4885SMN1; SMN2 3250/4885BRAF 95/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 LMNA 1474/4885SMN1; SMN2 3250/4885BRAF 95/4885

“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.