SCHEMBL6841196

SCHEMBL6841196

O=C(Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1)c1ccc(F)c(OCc2cnc3ccccc3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
THRB P10828 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
BRAF P15056 10/20 0.51
RAF1 P04049 3/20 0.51
CYP2C9 P11712 1/20 0.48
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
AURKB Q96GD4 1/20 0.45
CSF1R P07333 4/20 0.45
KDR P35968 1/20 0.45
FLT3 P36888 1/20 0.45
WNT3A P56704 1/20 0.44
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44

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
SCHEMBL6846756 0.91 MTOR (0.48) TP53MAPTTHRBSMN1; SMN2CSF1R
SCHEMBL6846847 0.86 MAPT (0.60) TP53MAPTTHRBSMN1; SMN2BRAF
SCHEMBL6848240 0.85 TP53 (0.57) TP53MAPTTHRBSMN1; SMN2BRAF
SCHEMBL6841246 0.77 TP53 (0.47) TP53MAPTTHRBSMN1; SMN2CSF1R
SCHEMBL6846883 0.76 MAPT (0.47) TP53MAPTTHRBSMN1; SMN2CYP2C9
SCHEMBL6848447 0.76 FGFR1 (0.49) TP53MAPTTHRBSMN1; SMN2CSF1R
Hydrochloric Acid SCHEMBL6846824 0.76 MAPT (0.46) TP53MAPTTHRBSMN1; SMN2CYP2C9
Hydrochloric Acid SCHEMBL6844791 0.74 MAPT (0.44) TP53MAPTTHRBSMN1; SMN2CYP2C9
SCHEMBL6841242 0.74 MAPT (0.46) TP53MAPTTHRBSMN1; SMN2
SCHEMBL6844575 0.71 CYP11B1 (0.47) BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US claimed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP claimed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US claimed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO claimed
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA TP53 397/4885MAPT 899/4885THRB 2328/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA TP53 397/4885MAPT 899/4885THRB 2328/4885

“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.