SCHEMBL3988041

SCHEMBL3988041

Cc1cc(Nc2ccc3cccc(Cl)c3n2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.48
AURKA O14965 11/20 0.47
GSK3B P49841 4/20 0.47
ITK Q08881 1/20 0.47
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AURKB Q96GD4 6/20 0.44
PAK4 O96013 3/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
IGF1R P08069 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43

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
SCHEMBL3993811 0.83 MAPK14 (0.48) XPO1HTTKMT2AIGF1RJAK3
SCHEMBL2848264 0.81 XPO1 (0.54) XPO1GSK3BMEN1HTTKMT2A
SCHEMBL3989131 0.77 TNIK (0.50) NPC1RAB9A
SCHEMBL3992045 0.77 XPO1 (0.46) XPO1HTTKMT2ANPC1RAB9A
SCHEMBL1702491 0.76 XPO1 (0.49) XPO1MEN1HTTKMT2ALCK
SCHEMBL25853864 0.75 XPO1 (0.48) XPO1GSK3BMEN1HTTKMT2A
SCHEMBL1702275 0.75 MDM2 (0.48) XPO1GSK3BMEN1HTTKMT2A
SCHEMBL29568127 0.74 XPO1 (0.50) XPO1MEN1HTTKMT2ALCK
SCHEMBL29110574 0.74 NFKB1 (0.51) XPO1NPC1RAB9A
SCHEMBL1702529 0.74 XPO1 (0.47) XPO1HTTKMT2AABL1NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521560-B2 2-substituted quinoline compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521560-B2 2-substituted quinoline compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521560-B2 2-substituted quinoline compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
EP-1781637-A1 2-SUBSTITUTED QUINOLINE COMPOUNDS AND THEIR USES AS INHIBITORS OF THE IGE RECEPTOR SIGNALING CASCADE Rigel Pharmaceuticals, Inc. (US) 2007-05-09 EP disclosed
US-20060040982-A1 2-Substituted quinoline compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2006-02-23 US disclosed
WO-2006004865-A1 2-SUBSTITUTED QUINOLINE COMPOUNDS AND THEIR USES AS INHIBITORS OF THE IGE RECEPTOR SIGNALING CASCADE RIGEL PHARMACEUTICALS, INC. (US) 2006-01-12 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-20060040982-A1 2-Substituted quinoline compounds and their uses FCER2, LTB4R2, CYSLTR2 XPO1 2363/4885AURKA 2835/4885GSK3B 1531/4885

“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.