Sugi Predict

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SCHEMBL1242560

SCHEMBL1242560

Cc1c(C(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc2n1C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ FOXO1 Q12778 1/20 0.41
▸ GSK3B P49841 2/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ IRAK1 P51617 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ CSNK1G3 Q9Y6M4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34

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
SCHEMBL4493859 0.87 GAA (0.52) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL3304019 0.78 GAA (0.45) GAAMEN1KMT2AFOXO1L3MBTL1
SCHEMBL1243945 0.78 MEN1 (0.49) GAAMEN1KMT2AFOXO1GSK3B
SCHEMBL262257 0.77 KDM4E (0.58) GAAMEN1KMT2AFOXO1GSK3B
SCHEMBL262303 0.77 GAA (0.48) GAAMEN1KMT2AFOXO1GSK3B
SCHEMBL1242800 0.77 GAA (0.48) GAAMEN1KMT2AFOXO1LMNA
SCHEMBL3311720 0.76 MEN1 (0.43) GAAMEN1KMT2AFOXO1L3MBTL1
SCHEMBL3308102 0.76 MEN1 (0.46) GAAMEN1KMT2AFOXO1LMNA
SCHEMBL3312312 0.75 MEN1 (0.46) GAAMEN1KMT2AFOXO1L3MBTL1
SCHEMBL1243987 0.75 MEN1 (0.46) GAAMEN1KMT2AFOXO1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879878-B2 such as {2-[({[7-(cyclohexylamino)-6-fluoro-4-oxo-1-[(3S)-tetrahydrofuran-3-yl]-1,4-dihydroquinolin-3-yl}carbonyl)amino]ethyl}phosphonic acid, used as platelet aggregation inhibitor and purinergic receptor (P2Y12) inhibitors; therapy for circulatory diseases involving thrombosis via platelet aggregation ASTELLAS PHARMA INC. (JP) 2011-02-01 — — US disclosed
US-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-05-14 — — US disclosed
CN-100471842-C Carbostyril derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-03-25 — — CN disclosed
US-7488739-B2 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-02-10 — — US disclosed
CN-1826321-A Quinolone derivative or its salt YAMANOUCHI PHARMA CO LTD (JP) 2006-08-30 — — CN disclosed
US-20060148806-A1 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2006-07-06 — — US disclosed
EP-1650192-A1 QUINOLONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-04-26 — — 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-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF THPO, ABL1, GMPS GAA 1758/4885MEN1 2643/4885KMT2A 2659/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS GAA 1758/4885MEN1 2643/4885KMT2A 2659/4885

“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.