SCHEMBL6846684

SCHEMBL6846684

COc1ccc(Nc2cc(COc3cc(C(=O)Nc4ccc(N5CCCC5)c(C(F)(F)F)c4)ccc3F)[nH]n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
BRAF P15056 7/20 0.46
RAF1 P04049 2/20 0.44
NTRK1 P04629 1/20 0.44
DDR1 Q08345 1/20 0.44
S1PR1 P21453 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
SCHEMBL6841384 0.88 ABL1 (0.41) TP53MAPTTHRBSMN1; SMN2BRAF
SCHEMBL6845411 0.86 TAAR1 (0.49) TP53MAPTTHRBSMN1; SMN2TAAR1
SCHEMBL7495534 0.85 BRAF (0.42) MAPTSMN1; SMN2BRAF
SCHEMBL6845313 0.82 TAAR1 (0.49) TP53MAPTTHRBSMN1; SMN2TAAR1
SCHEMBL6845311 0.82 TAAR1 (0.49) TP53MAPTTHRBSMN1; SMN2TAAR1
SCHEMBL6846702 0.82 MAPT (0.46) MAPTTHRBSMN1; SMN2BRAFRAF1
SCHEMBL6846576 0.79 MAP3K20 (0.43) TP53MAPTTHRBSMN1; SMN2TAAR1
SCHEMBL7541301 0.76 MAP3K20 (0.42) TP53MAPTTHRBSMN1; SMN2TAAR1
SCHEMBL6844724 0.76 TAAR1 (0.56) TP53MAPTTHRBSMN1; SMN2TAAR1
SCHEMBL6841239 0.72 MAP3K20 (0.43) MAPTSMN1; SMN2BRAFRAF1

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.