SCHEMBL6841333

SCHEMBL6841333

CON(C)C(=O)COc1cc(C(=O)Nc2ccc(-n3ccnc3)c(C(F)(F)F)c2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DDR1 Q08345 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.40
CD38 P28907 1/20 0.40
BRAF P15056 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
GRM4 Q14833 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 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
SCHEMBL6844724 0.85 TAAR1 (0.56) MAPTTP53THRBSMN1; SMN2CYP2C9
SCHEMBL6846470 0.82 ABL1 (0.50) ABL1MAPTTP53THRBSMN1; SMN2
SCHEMBL6846615 0.80 MAPT (0.40) ABL1MAPTTP53THRBSMN1; SMN2
SCHEMBL7489900 0.80 BRAF (0.44) ABL1MAPTMEN1KMT2AKDM4E
SCHEMBL6844575 0.80 CYP11B1 (0.47) ABL1DDR1CD38BRAFGRM4
SCHEMBL6841384 0.77 ABL1 (0.41) ABL1MAPTTP53THRBSMN1; SMN2
SCHEMBL6846753 0.68 CYP11B1 (0.48) ABL1MAPTTP53MEN1KMT2A
SCHEMBL3974651 0.68 ALDH1A1 (0.44) ABL1MAPTDDR1MEN1KMT2A
SCHEMBL6841342 0.68 BLM (0.46) ABL1MAPTTP53SMN1; SMN2DDR1
Hydrochloric Acid SCHEMBL3971651 0.67 ALDH1A1 (0.43) ABL1MAPTDDR1MEN1KMT2A

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 3 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 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 899/4885TP53 397/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ABL1 555/4885MAPT 899/4885TP53 397/4885

“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.