SCHEMBL3984929

SCHEMBL3984929

N#Cc1c[nH]nc1Nc1ccc2cccc(Cl)c2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.39
PSMB8 P28062 3/20 0.36
TYK2 P29597 2/20 0.34
JAK2 O60674 1/20 0.34
DYRK1A Q13627 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
AR P10275 1/20 0.33
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
GRM4 Q14833 1/20 0.32
CHEK1 O14757 1/20 0.32
PIM1 P11309 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
LRRK2 Q5S007 1/20 0.32
IDO1 P14902 1/20 0.32
LCK P06239 1/20 0.31

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
SCHEMBL3988077 0.76 XPO1 (0.40) XPO1TYK2JAK2PIM1PIM2
SCHEMBL1702103 0.75 XPO1 (0.47) XPO1PSMB8L3MBTL1KDM4EAR
SCHEMBL3992045 0.73 XPO1 (0.46) XPO1L3MBTL1KDM4EMAPTAR
SCHEMBL3990548 0.71 XPO1 (0.41) XPO1JAK2KDM4EMAPT
SCHEMBL1702476 0.70 CHEK1 (0.44) XPO1PSMB8TYK2JAK2L3MBTL1
SCHEMBL1702529 0.68 XPO1 (0.47) XPO1L3MBTL1KDM4EARPIM1
SCHEMBL18434270 0.68 RAB9A (0.55) XPO1L3MBTL1KDM4EMAPTCHEK1
SCHEMBL17651740 0.68 CHUK (0.50) L3MBTL1KDM4EMAPTGRM4
SCHEMBL22134943 0.67 XPO1 (0.49) XPO1TYK2JAK2L3MBTL1KDM4E
SCHEMBL30603860 0.66 XPO1 (0.48) XPO1L3MBTL1KDM4EMAPTPIM1

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-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 2363/4885PSMB8 2170/4885TYK2 734/4885

“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.