SCHEMBL1615734

SCHEMBL1615734

COc1cccc2c1C(Nc1ccc3c(NS(=O)(=O)c4cc(F)cc(F)c4)cccc3n1)CCC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 2/20 0.39
METAP2 P50579 1/20 0.37
MAP2K4 P45985 1/20 0.37
C5AR1 P21730 5/20 0.37
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTT P42858 2/20 0.35
AXL P30530 1/20 0.35
TRIM24 O15164 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 3/20 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
SCHEMBL1616597 0.95 MAP2K4 (0.38) PFKFB3MAP2K4ALDH1A1MAPTLMNA
SCHEMBL1616695 0.88 ALDH1A1 (0.42) METAP2MAP2K4ALDH1A1MAPTTRIM24
SCHEMBL1615349 0.88 MAP2K4 (0.38) PFKFB3MAP2K4ALDH1A1MAPTLMNA
SCHEMBL1616498 0.85 PFKFB3 (0.44) PFKFB3ALDH1A1MAPTLMNAHTT
SCHEMBL1615706 0.85 METAP2 (0.38) METAP2MAP2K4C5AR1ALDH1A1MAPT
SCHEMBL1615576 0.84 CA1 (0.38) PFKFB3MAP2K4ALDH1A1MAPTLMNA
SCHEMBL2926162 0.80 SCN1A (0.41) PFKFB3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1615546 0.80 SCN1A (0.41) PFKFB3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2243192 0.79 ACHE (0.42) PFKFB3MEN1KMT2AKDM4E
SCHEMBL4115247 0.77 PFKFB3 (0.41) PFKFB3TDP1MEN1KMT2AKDM4E

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-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
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 PFKFB3 4177/4885METAP2 2794/4885MAP2K4 3462/4885

“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.