SCHEMBL7480201

SCHEMBL7480201

N#Cc1ccc(CC(c2cnc[nH]2)N2CCN(C(=O)c3cccc4[nH]ccc34)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.46
CYP19A1 P11511 6/20 0.46
GOT1 P17174 1/20 0.41
CCR3 P51677 1/20 0.39
IDH1 O75874 1/20 0.39
CHRM2 P08172 1/20 0.38
FNTA P49354 5/20 0.37
FNTB P49356 5/20 0.37
MGLL Q99685 2/20 0.36
PGGT1B P53609 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL7483971 0.88 FNTA (0.47) CYP19A1FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7482278 0.87 FNTA (0.47) CYP19A1FNTAFNTBPGGT1B
SCHEMBL7483881 0.87 FNTA (0.38) CYP19A1FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7748868 0.86 FNTA (0.38) CYP19A1FNTAFNTBPGGT1B
SCHEMBL7482744 0.84 FNTA (0.41) CYP19A1FNTAFNTBPGGT1B
SCHEMBL7584664 0.84 FNTA (0.38) CYP19A1FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7750453 0.83 FNTA (0.38) CYP19A1FNTAFNTBPGGT1B
SCHEMBL7480437 0.83 CHRM2 (0.38) CCR3CHRM2FNTAFNTBPGGT1B
SCHEMBL7587917 0.81 FNTA (0.41) CYP19A1FNTAFNTBPGGT1B
SCHEMBL7492267 0.81 HCRTR1 (0.35) CYP19A1FNTAFNTBMGLLKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002538121-A 2002-11-12 JP claimed
US-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay ENG WAI-SI (US) 2002-06-13 US claimed
EP-1165084-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES MERCK & CO INC (US) 2002-05-15 EP claimed
EP-1165084-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES Merck & Co., Inc. (US) 2002-01-02 EP claimed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO claimed
WO-2000051614-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES MERCK & CO., INC. (US) 2000-09-08 WO claimed
US-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay ENG WAI-SI (US) 2002-06-13 US disclosed
EP-1165084-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES MERCK & CO INC (US) 2002-05-15 EP disclosed
EP-1165084-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES Merck & Co., Inc. (US) 2002-01-02 EP disclosed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO disclosed
WO-2000051614-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES MERCK & CO., INC. (US) 2000-09-08 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-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay GGT1, FNTA, GGPS1 MAPK14 3698/4885CYP19A1 2104/4885GOT1 175/4885

“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.