SCHEMBL6306236

SCHEMBL6306236

O=C(Cn1ccnc1)c1nccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ALPG P10696 2/20 0.48
ALPI P09923 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PLAA Q9Y263 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CYP51A1 Q16850 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42

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
SCHEMBL7565291 0.76 ALPL (0.50) ALDH1A1ALPGPLAA
SCHEMBL23291537 0.75 MEN1 (0.57) ALDH1A1
SCHEMBL6299572 0.74 CYP19A1 (0.52) CYP19A1ALDH1A1ALPGALPITDP1
SCHEMBL10364844 0.71 CYP19A1 (0.60) CYP19A1ALDH1A1ALPGALPITDP1
SCHEMBL8231599 0.71 ALPL (0.51) ALDH1A1ALPGALPITDP1PLAA
SCHEMBL27559825 0.70 CYP19A1 (0.79) CYP19A1ALDH1A1ALPGALPITDP1
SCHEMBL27690636 0.70
SCHEMBL7241523 0.69 ALDH1A1 (0.72) CYP19A1ALDH1A1ALPGALPITDP1
SCHEMBL11370807 0.69 ALDH1A1 (0.55) CYP19A1ALDH1A1ALPGALPITDP1
SCHEMBL1509735 0.69 CYP19A1 (0.71) CYP19A1ALDH1A1ALPGALPITDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US disclosed
US-20030220495-A1 Inhibitors of farnesyl protein transferase ZENECA LIMITED AND ZENECA PHARMA S.A. 2003-11-27 US disclosed
EP-1276725-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP disclosed
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US disclosed
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
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 WO disclosed
EP-1025088-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA AB (SE) 2001-09-05 EP disclosed
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 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 (4 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-20030220495-A1 Inhibitors of farnesyl protein transferase KRAS, FNTA, FNTB CYP19A1 1303/4885ALDH1A1 2771/4885ALPG 4041/4885
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 CYP19A1 962/4885ALDH1A1 578/4885ALPG 3312/4885
US-20020058665-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors FNTA, FNTB, RABGGTA CYP19A1 836/4885ALDH1A1 1072/4885ALPG 3769/4885
US-20020052376-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors FNTA, FNTB, RABGGTA CYP19A1 806/4885ALDH1A1 1016/4885ALPG 3935/4885

“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.