SCHEMBL1243569

SCHEMBL1243569

CCn1cc(C(=O)n2ccnc2)c(=O)c2cc(F)c(NC3CCCCC3)cc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.68
▸ KMT2A Q03164 7/20 0.68
▸ GAA P10253 4/20 0.68
▸ FOXO1 Q12778 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ HPGD P15428 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ DRD3 P35462 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CYP2J2 P51589 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL1243866 0.83 KMT2A (0.81) MEN1KMT2AGAAFOXO1ALDH1A1
SCHEMBL4111281 0.81 MEN1 (1.00) MEN1KMT2AGAAFOXO1ALDH1A1
SCHEMBL25069254 0.81 KMT2A (0.78) MEN1KMT2AGAAFOXO1ALDH1A1
SCHEMBL1243831 0.81 MEN1 (0.85) MEN1KMT2AGAAFOXO1ALDH1A1
SCHEMBL29053188 0.78 KDM4E (0.60) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL4110428 0.78 MEN1 (0.79) MEN1KMT2AGAAFOXO1ALDH1A1
SCHEMBL28556326 0.77 KDM4E (0.70) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL1243323 0.76 MEN1 (0.75) MEN1KMT2AGAAFOXO1ALDH1A1
SCHEMBL27656223 0.76 MEN1 (0.78) MEN1KMT2AGAAFOXO1ALDH1A1
SCHEMBL1241191 0.76 KMT2A (0.75) MEN1KMT2AGAAFOXO1ALDH1A1

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 5 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
US-7488739-B2 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-02-10 — — US 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 MEN1 2643/4885KMT2A 2659/4885GAA 1758/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS MEN1 2643/4885KMT2A 2659/4885GAA 1758/4885

“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.

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