SCHEMBL6846702

SCHEMBL6846702

COc1cc(NC(=O)c2ccc(F)c(OCc3cc(Nc4ccc(OC)nc4)n[nH]3)c2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PARP1 P09874 1/20 0.42
POLB P06746 1/20 0.42
RAF1 P04049 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BRAF P15056 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
THRB P10828 1/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL7495534 0.82 BRAF (0.42) MAPTPOLBSMN1; SMN2KDM4EBRAF
SCHEMBL6846684 0.82 TP53 (0.48) MAPTRAF1SMN1; SMN2BRAFTHRB
SCHEMBL6841384 0.81 ABL1 (0.41) MAPTPOLBSMN1; SMN2KDM4EBRAF
SCHEMBL6846667 0.70 HPGD (0.43) MAPTMAPK1GAATDP1L3MBTL1
SCHEMBL6841239 0.70 MAP3K20 (0.43) MAPTMAPK1GAATDP1L3MBTL1
SCHEMBL13989076 0.68 MAPT (0.60) MAPTMAPK1GAATDP1L3MBTL1
SCHEMBL6845411 0.68 TAAR1 (0.49) MAPTRAF1SMN1; SMN2BRAFTHRB
SCHEMBL6846899 0.67 HPGD (0.44) MAPTSMN1; SMN2KDM4ERAB9AMEN1
SCHEMBL6846672 0.66 MEN1 (0.41) MAPTPOLBSMN1; SMN2KDM4ENPC1
SCHEMBL14083308 0.66 TRPV1 (0.53) MAPTMAPK1GAATDP1L3MBTL1

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 8 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
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 MAPT 899/4885MAPK1 45/4885GAA 1871/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MAPT 899/4885MAPK1 45/4885GAA 1871/4885

“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.