SCHEMBL6841384

SCHEMBL6841384

COc1ccc(Nc2cc(COc3cc(C(=O)Nc4ccc(-n5ccnc5)c(C(F)(F)F)c4)ccc3F)[nH]n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.41
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HCK P08631 2/20 0.39
NR2C2 P49116 2/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
BRAF P15056 8/20 0.39
DDR1 Q08345 1/20 0.38
POLB P06746 1/20 0.38
MAP3K7 O43318 1/20 0.37
CSK P41240 1/20 0.37
MAP4K2 Q12851 1/20 0.37
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6846684 0.88 TP53 (0.48) MAPTSMN1; SMN2TP53THRBBRAF
SCHEMBL7495534 0.84 BRAF (0.42) ABL1MAPTSMN1; SMN2HCKNR2C2
SCHEMBL6846615 0.83 MAPT (0.40) ABL1MAPTSMN1; SMN2TP53THRB
SCHEMBL6846702 0.81 MAPT (0.46) MAPTSMN1; SMN2THRBBRAFPOLB
SCHEMBL6844575 0.78 CYP11B1 (0.47) ABL1BRAFDDR1
SCHEMBL6841333 0.77 ABL1 (0.44) ABL1MAPTSMN1; SMN2TP53THRB
SCHEMBL6846470 0.75 ABL1 (0.50) ABL1MAPTSMN1; SMN2TP53THRB
SCHEMBL6845411 0.74 TAAR1 (0.49) MAPTSMN1; SMN2TP53THRBBRAF
SCHEMBL6846576 0.71 MAP3K20 (0.43) ABL1MAPTSMN1; SMN2TP53THRB
SCHEMBL6841239 0.71 MAP3K20 (0.43) ABL1MAPTSMN1; SMN2BRAFMAPK14

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 7 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
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

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 ABL1 555/4885MAPT 899/4885SMN1; SMN2 4682/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ABL1 555/4885MAPT 899/4885SMN1; SMN2 4682/4885

“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.