SCHEMBL7561815

SCHEMBL7561815

O=C(O)c1cc(OC(Cn2ccnc2)c2ccc(F)cc2)ccc1-c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.57
CYP51A1 Q16850 5/20 0.44
IDO1 P14902 2/20 0.43
CYP19A1 P11511 3/20 0.42
SCN9A Q15858 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GRM2 Q14416 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
SCHEMBL7565160 0.92 PTGS2 (0.54) PTGS2CYP51A1IDO1CYP19A1SCN9A
SCHEMBL7561820 0.83 PTGS2 (0.52) PTGS2CYP51A1IDO1CYP19A1SCN9A
SCHEMBL7563951 0.83 PTGS2 (0.46) PTGS2IDO1CYP19A1CYP3A4SMN1; SMN2
SCHEMBL7563092 0.80 PTGS2 (0.52) PTGS2CYP51A1IDO1CYP19A1CYP3A4
SCHEMBL7569922 0.79 PTGS2 (0.47) PTGS2CYP51A1IDO1CYP19A1CYP3A4
SCHEMBL7605941 0.77 PTGS2 (0.46) PTGS2CYP51A1CYP19A1CYP3A4CYP2C19
SCHEMBL7605945 0.77 PTGS2 (0.48) PTGS2CYP51A1CYP19A1SCN9ACYP3A4
SCHEMBL7561152 0.77 FNTA (0.51) PTGS2CYP51A1CYP3A4CYP2C19
SCHEMBL7862157 0.76 FNTA (0.51) PTGS2CYP51A1CYP3A4CYP2C19
SCHEMBL7563722 0.76 FNTA (0.49) PTGS2CYP51A1CYP3A4CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058665-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors ASTRAZENECA UK LIMITED 2002-05-16 US disclosed
US-20020052376-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors ASTRAZENECA UK LIMITED 2002-05-02 US disclosed
US-6342765-B1 COMPOUNDS THAT INHIBIT FARNESYLATION OF MUTANT RAS GENE PRODUCTS; TREATING DISEASES, ESPECIALLY CANCER, WHICH ARE MEDIATED THROUGH FARNESYLATION OF RAS ASTRAZENECA UK LIMITED (GB) 2002-01-29 US disclosed
EP-1025088-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA AB (SE) 2001-09-05 EP 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-20020058665-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors FNTA, FNTB, RABGGTA PTGS2 2714/4885CYP51A1 75/4885IDO1 2422/4885
US-20020052376-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors FNTA, FNTB, RABGGTA PTGS2 2763/4885CYP51A1 107/4885IDO1 2367/4885

“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.