SCHEMBL7543174

SCHEMBL7543174

CC#Cc1ccc(C(=O)N2CCN(C(Cc3ccc(C#N)cc3)c3cnc[nH]3)CC2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FASN P49327 13/20 0.38
ACACB O00763 2/20 0.37
PRKAA2 P54646 1/20 0.37
EGLN1 Q9GZT9 2/20 0.37
AR P10275 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 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
SCHEMBL7747198 0.90 FASN (0.42) FASNPRKAA2EGLN1
SCHEMBL7486981 0.88 FASN (0.39) FASNPRKAA2EGLN1PDK1PDK2
Hydrochloric Acid SCHEMBL7747151 0.87 FASN (0.39) FASNPRKAA2EGLN1PDK1PDK2
SCHEMBL7481462 0.87 PRKAA2 (0.39) FASNACACBPRKAA2EGLN1PDK1
SCHEMBL7594805 0.85 FASN (0.45) FASN
SCHEMBL7482929 0.84 PRKAA2 (0.37) FASNPRKAA2EGLN1
Hydrochloric Acid SCHEMBL7490534 0.83 PRKAA2 (0.37) FASNPRKAA2EGLN1
SCHEMBL7584664 0.82 FNTA (0.38) ACACBPRKAA2
Hydrochloric Acid SCHEMBL7750453 0.81 FNTA (0.38) ACACBPRKAA2
SCHEMBL7156162 0.79 CYP19A1 (0.42)

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 FASN 1229/4885ACACB 312/4885PRKAA2 2786/4885

“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.