SCHEMBL1241163

SCHEMBL1241163

CCOC(=O)c1nnc2cc(F)c(F)cc2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PTPN11 Q06124 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GLP1R P43220 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL6980942 0.78 GABRA1 (0.45) KMT2ANPC1ALDH1A1CA12CA1
SCHEMBL10861101 0.78 ALDH1A1 (0.47) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL23145076 0.77 KDM4E (0.48) NPC1LMNARAB9AALDH1A1KDM4E
SCHEMBL29744320 0.77 KDM4E (0.48) NPC1LMNARAB9AALDH1A1KDM4E
SCHEMBL10861354 0.77 KDM4E (0.51) KMT2AMEN1NPC1LMNARAB9A
SCHEMBL538913 0.76 TSHR (0.48) KMT2AMEN1NPC1LMNARAB9A
SCHEMBL1467061 0.76 MEN1 (0.62) KMT2AMEN1TSHRALDH1A1CA2
SCHEMBL3706487 0.75 GLP1R (0.48) KMT2AMEN1NPC1LMNARAB9A
SCHEMBL31345635 0.75 GLP1R (0.48) KMT2AMEN1NPC1LMNARAB9A
SCHEMBL3012827 0.74 NR1H2 (0.41) KMT2AMEN1NPC1LMNARAB9A

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 KMT2A 2659/4885MEN1 2643/4885NPC1 2132/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS KMT2A 2659/4885MEN1 2643/4885NPC1 2132/4885

“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.