SCHEMBL6173232

SCHEMBL6173232

CCOc1cccc(-c2cc(=O)n(C)c3ccc(C(O)(c4cccnc4)c4cccnc4)cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.50
FNTB P49356 6/20 0.50
CYP3A4 P08684 3/20 0.41
RORC P51449 6/20 0.40
PGGT1B P53609 1/20 0.39
S1PR1 P21453 1/20 0.39
ACSS2 Q9NR19 1/20 0.39
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
BACE1 P56817 2/20 0.38

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
SCHEMBL6171808 0.84 FNTA (0.68) FNTAFNTBCYP3A4RORCCYP19A1
SCHEMBL6171731 0.82 FNTA (0.47) FNTAFNTBRORCPGGT1BS1PR1
SCHEMBL3499579 0.81 FNTA (0.67) FNTAFNTBCYP3A4RORCPGGT1B
SCHEMBL1683558 0.81 FNTA (0.79) FNTAFNTBCYP3A4RORC
SCHEMBL4284857 0.79 FNTA (0.55) FNTAFNTBCYP3A4
SCHEMBL3527417 0.78 FNTA (0.62) FNTAFNTBCYP3A4RORCPGGT1B
SCHEMBL4294223 0.78 FNTA (0.60) FNTAFNTBCYP3A4CYP19A1
SCHEMBL4294222 0.78 FNTA (0.60) FNTAFNTBCYP3A4CYP19A1
SCHEMBL6170592 0.78 RORC (0.47) RORCS1PR1
SCHEMBL4301682 0.76 FNTA (0.57) FNTAFNTBCYP3A4CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150973-B1 HETEROARYL-SUBSTITUTED QUINOLIN-2-ONE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-6710209-B2 INHIBITING FARNESYL PROTEIN TRANSFERASE. PFIZER INC 2004-03-23 US disclosed
US-20020120145-A1 Heteroaryl-substituted quinolin-2-one derivatives useful as anticancer agents PFIZER INC. 2002-08-29 US disclosed
US-6388092-B2 ANTITUMOR AGENT PFIZER INC 2002-05-14 US disclosed
US-20020019530-A1 Heteroaryl-substituted quinolin-2-one derivatives useful as anticancer agents YANG BINGWEI V (US) 2002-02-14 US disclosed
US-6258824-B1 TREATMENT OF HYPERPROLIFERATIVE DISEASES, SUCH AS CANCERS, IN MAMMALS. THIS INVENTION ALSO RELATES TO A PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS. PFIZER INC. 2001-07-10 US 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-20020120145-A1 Heteroaryl-substituted quinolin-2-one derivatives useful as anticancer agents NRAS, CCNA1, KRAS FNTA 855/4885FNTB 2166/4885CYP3A4 721/4885
US-20020019530-A1 Heteroaryl-substituted quinolin-2-one derivatives useful as anticancer agents NRAS, CCNA1, KRAS FNTA 855/4885FNTB 2166/4885CYP3A4 721/4885

“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.