SCHEMBL1616447

SCHEMBL1616447

CN(c1cccc2nc(N[C@@H]3CCc4ccccc43)ccc12)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PFKFB3 Q16875 3/20 0.40
GBA1 P04062 1/20 0.38
MAPK14 Q16539 2/20 0.38
ALDH1A1 P00352 1/20 0.38
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL1616346 0.81 MEN1 (0.46) KDM4ELMNAALOX15TSHRSMN1; SMN2
SCHEMBL2905947 0.81 GLP1R (0.42) KDM4ELMNAALOX15TSHRSMN1; SMN2
SCHEMBL1616691 0.77 PFKFB3 (0.39) KDM4ELMNAALOX15TSHRSMN1; SMN2
SCHEMBL1615579 0.76 PFKFB3 (0.42) LMNASMN1; SMN2PFKFB3GBA1MAPK14
SCHEMBL1615592 0.76 PFKFB3 (0.42) PFKFB3GBA1MAPK14
SCHEMBL1616580 0.76 AURKA (0.43) PFKFB3GBA1MAPK14
SCHEMBL2926162 0.75 SCN1A (0.41) KDM4ELMNAALOX15TSHRSMN1; SMN2
SCHEMBL1615546 0.75 SCN1A (0.41) KDM4ELMNAALOX15TSHRSMN1; SMN2
SCHEMBL3844986 0.75 PDPK1 (0.47) PFKFB3GBA1CA1CA2
SCHEMBL1615945 0.75 GBA1 (0.48) PFKFB3GBA1CA1CA2

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 10 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
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP claimed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US claimed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO 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
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP disclosed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US disclosed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO 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 KDM4E 1571/4885LMNA 3439/4885ALOX15 755/4885

“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.