SCHEMBL6846470

SCHEMBL6846470

CC(=O)Oc1cc(C(=O)Nc2ccc(-n3ccnc3)c(C(F)(F)F)c2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
CD38 P28907 2/20 0.43
TOP1 P11387 2/20 0.43
DDR1 Q08345 1/20 0.42
GRM4 Q14833 1/20 0.42
TEK Q02763 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40

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
SCHEMBL6841333 0.82 ABL1 (0.44) ABL1SMN1; SMN2TP53MAPTTHRB
SCHEMBL6844575 0.81 CYP11B1 (0.47) ABL1CD38DDR1GRM4TEK
SCHEMBL6846615 0.77 MAPT (0.40) ABL1SMN1; SMN2TP53MAPTTHRB
SCHEMBL7500274 0.76 BRAF (0.49) ABL1SMN1; SMN2MAPTTOP1GRM4
SCHEMBL6841384 0.75 ABL1 (0.41) ABL1SMN1; SMN2TP53MAPTTHRB
SCHEMBL3974651 0.73 ALDH1A1 (0.44) ABL1MAPTCD38DDR1GRM4
Hydrochloric Acid SCHEMBL3971651 0.73 ALDH1A1 (0.43) ABL1MAPTCD38DDR1GRM4
SCHEMBL3972148 0.71 CYP1A2 (0.49) ABL1MAPTCD38ALDH1A1LMNA
SCHEMBL3974655 0.71 SLC9A1 (0.44) ABL1MAPTCD38GRM4TEK
Hydrochloric Acid SCHEMBL6837522 0.70 SLC9A1 (0.44) ABL1MAPTCD38GRM4TEK

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 555/4885SMN1; SMN2 4682/4885TP53 397/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ABL1 555/4885SMN1; SMN2 4682/4885TP53 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.