SCHEMBL7478429

SCHEMBL7478429

CC(C)(C)OC(=O)NCc1cccc(NNC(=O)C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.48
GLS O94925 3/20 0.44
NAMPT P43490 2/20 0.43
CCKBR P32239 1/20 0.43
CREBBP Q92793 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
KDM4A O75164 1/20 0.41
SYK P43405 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
IDO1 P14902 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL18630525 0.84 BRD4 (0.53) BRD4GLSNAMPTCCKBRCREBBP
SCHEMBL22989302 0.81 BRD4 (0.47) BRD4GLSNAMPTCCKBRCREBBP
SCHEMBL31709823 0.81 BRD4 (0.54) BRD4GLSNAMPTCCKBRCREBBP
SCHEMBL731764 0.81 BRD4 (0.54) BRD4GLSNAMPTCCKBRCREBBP
SCHEMBL4751779 0.81 AURKB (0.49) BRD4GLSNAMPTCCKBRAURKA
SCHEMBL7564751 0.79 BRD4 (0.47) BRD4GLSNAMPTCCKBRCREBBP
SCHEMBL3507808 0.79 BRD4 (0.53) BRD4GLSNAMPTCCKBRAURKA
SCHEMBL29289884 0.79 BRD4 (0.53) BRD4GLSNAMPTCCKBRCREBBP
SCHEMBL1111369 0.78 GLS (0.52) BRD4GLSNAMPTCREBBPKDM4A
SCHEMBL30151702 0.78 GLS (0.52) BRD4GLSNAMPTCREBBPKDM4A

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 5 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
EP-1222172-A1 SYNTHESIS OF 1,3,5-TRISUBSTITUTED PYRAZOLES AND INTERMEDIATES THEREFORE Bristol-Myers Squibb Pharma Company (US) 2002-07-17 EP 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
WO-2001029006-A1 SYNTHESIS OF 1,3,5-TRISUBSTITUTED PYRAZOLES AND INTERMEDIATES THEREFORE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-04-26 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 (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.