SCHEMBL6846576

SCHEMBL6846576

COc1ccc(Nc2cc(CCc3cccc(C(=O)Nc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(C(F)(F)F)c4)c3)[nH]n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K20 Q9NYL2 2/20 0.43
RAF1 P04049 2/20 0.42
BRAF P15056 2/20 0.42
NTRK1 P04629 1/20 0.42
DDR1 Q08345 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HPGD P15428 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
ABL1 P00519 1/20 0.39
AURKA O14965 1/20 0.39
PDPK1 O15530 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AURKB Q96GD4 1/20 0.39
NPY2R P49146 1/20 0.38
SERPINE1 P05121 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL6845411 0.92 TAAR1 (0.49) MAP3K20RAF1BRAFNTRK1DDR1
SCHEMBL7541301 0.91 MAP3K20 (0.42) MAP3K20RAF1BRAFNTRK1DDR1
SCHEMBL6846581 0.91 SCN9A (0.41) MAP3K20HPGDRXFP1ABL1MAPK14
SCHEMBL6841239 0.82 MAP3K20 (0.43) MAP3K20RAF1BRAFMAPTSMN1; SMN2
SCHEMBL6846667 0.81 HPGD (0.43) MAP3K20RAF1BRAFMAPTSMN1; SMN2
SCHEMBL6846684 0.79 TP53 (0.48) RAF1BRAFNTRK1DDR1TP53
SCHEMBL6846899 0.75 HPGD (0.44) MAPTSMN1; SMN2HPGDMAPK14
SCHEMBL6846845 0.75 HPGD (0.44) BRAFMAPTSMN1; SMN2HPGD
SCHEMBL7015526 0.75 TAAR1 (0.45) MAP3K20RAF1BRAFNTRK1DDR1
SCHEMBL6841242 0.72 MAPT (0.46) TP53MAPTTHRBSMN1; SMN2TAAR1

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 MAP3K20 4/4885RAF1 5/4885BRAF 1/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MAP3K20 4/4885RAF1 5/4885BRAF 1/4885

“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.