SCHEMBL7564751

SCHEMBL7564751

CC(C)(C)OC(=O)NCc1cccc(NN=C(Cl)C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.47
GLS O94925 3/20 0.43
NAMPT P43490 2/20 0.42
CCKBR P32239 1/20 0.40
CREBBP Q92793 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
KDM4A O75164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTSL P07711 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
HDAC1 Q13547 1/20 0.37
GAA P10253 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
SCHEMBL7568747 0.83 BRD4 (0.44) BRD4GLSNAMPTCCKBRCREBBP
SCHEMBL7572499 0.79 CA1 (0.43) BRD4GLSNAMPTCCKBRAURKA
SCHEMBL7478429 0.79 BRD4 (0.48) BRD4GLSNAMPTCCKBRCREBBP
SCHEMBL31709823 0.79 BRD4 (0.54) BRD4GLSNAMPTCCKBRCREBBP
SCHEMBL731764 0.79 BRD4 (0.54) BRD4GLSNAMPTCCKBRCREBBP
SCHEMBL7569209 0.78 BRD4 (0.43) BRD4GLSNAMPTAURKARPS6KB1
SCHEMBL6285318 0.78 CTSL (0.56) BRD4GLSKDM4ACTSLGAA
SCHEMBL18630525 0.77 BRD4 (0.53) BRD4GLSNAMPTCCKBRCREBBP
SCHEMBL3507808 0.77 BRD4 (0.53) BRD4GLSNAMPTCCKBRAURKA
SCHEMBL29289884 0.77 BRD4 (0.53) BRD4GLSNAMPTCCKBRCREBBP

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-6465656-B2 ACYLATING/ACETYLATING ARYLHYDRAZINE, REACTING HYDROZONOYL HALIDE/SULFATE WITH AMINE BASE TO FORM 1-(3-CYANO)PHENYL-2-(TRIFLUOROACETYL)HYDRAZINE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-10-15 US disclosed
US-20020055641-A1 Synthesis of 1,3,5-trisubstituted pyrazoles BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-09 US disclosed
US-6329527-B1 ACYLATING SUBSTITUTEDARYL HYDRAZINE, FORMING DIPOLAR COMPOUND, CONTACTING DIPOLAROPHILE AND SUBJECTING TO OXIDATION, REMOVING PROTECTING GROUP BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-12-11 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 (1 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-20020055641-A1 Synthesis of 1,3,5-trisubstituted pyrazoles TFPI, SERPINC1, F11 BRD4 1251/4885GLS 1412/4885NAMPT 782/4885

“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.