SCHEMBL1615310

SCHEMBL1615310

O=S(=O)(Nc1cccc2nc(N[C@@H]3c4ccccc4C[C@@H]3O)ccc12)c1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
VIPR2 P41587 1/20 0.35
RECQL P46063 1/20 0.34
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
GAA P10253 1/20 0.33
CLK1 P49759 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
AADAT Q8N5Z0 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL1616561 1.00 CYP3A4 (0.37) CYP3A4CYP2C9AURKARPS6KB1ALOX5AP
SCHEMBL2926162 0.82 SCN1A (0.41) CYP3A4CYP2C9RECQLMAPTKMT2A
SCHEMBL1615546 0.82 SCN1A (0.41) CYP3A4CYP2C9RECQLMAPTKMT2A
SCHEMBL1616498 0.80 PFKFB3 (0.44) MAPTALDH1A1GAAKDM4E
SCHEMBL1615436 0.78 MAPT (0.36) RECQLMAPTKMT2AMEN1ALDH1A1
SCHEMBL1615372 0.77 PKM (0.39) RECQLMAPTKMT2AALDH1A1SLC40A1
SCHEMBL1616371 0.76 SLC40A1 (0.38) RECQLMAPTKMT2AMEN1ALDH1A1
SCHEMBL2919481 0.75 SCN1A (0.41) ALOX5APFEN1RECQLMAPTSLC40A1
SCHEMBL1616265 0.75 SCN1A (0.41) ALOX5APFEN1RECQLMAPTSLC40A1
SCHEMBL2905425 0.74 RECQL (0.34) RECQLMAPTKMT2AMEN1ALDH1A1

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-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US claimed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US claimed
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 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 (1 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-20080146567-A1 QUINOLINES HTR5A, HTR2B, HTR2C CYP3A4 541/4885CYP2C9 583/4885AURKA 4689/4885

“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.