SCHEMBL3988077

SCHEMBL3988077

NC(=O)c1c[nH]nc1Nc1ccc2cccc(Cl)c2n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.40
PARP1 P09874 6/20 0.38
JAK2 O60674 4/20 0.36
JAK1 P23458 3/20 0.36
TYK2 P29597 3/20 0.36
JAK3 P52333 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIM1 P11309 4/20 0.35
PIM2 Q9P1W9 3/20 0.35
MAP4K4 O95819 1/20 0.35
GSK3B P49841 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 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
SCHEMBL3990548 0.83 XPO1 (0.41) XPO1JAK2JAK3SMN1; SMN2
SCHEMBL3987691 0.76 XPO1 (0.40) XPO1PARP1JAK2JAK1TYK2
SCHEMBL3984929 0.76 XPO1 (0.39) XPO1JAK2TYK2PIM1PIM2
SCHEMBL3992045 0.71 XPO1 (0.46) XPO1SMN1; SMN2PIM1PIM2NPC1
SCHEMBL1702768 0.71 DHODH (0.57) SMN1; SMN2NPC1RAB9A
SCHEMBL1702172 0.71 DHODH (0.46) XPO1SMN1; SMN2RAB9A
SCHEMBL16388912 0.70 DHODH (0.47) XPO1PARP1SMN1; SMN2NPC1RAB9A
SCHEMBL14820779 0.70 RAB9A (0.44) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL24687325 0.70 DHODH (0.42) XPO1SMN1; SMN2NPC1RAB9A
SCHEMBL14808817 0.69 ZAP70 (0.45) JAK2JAK1TYK2JAK3SMN1; SMN2

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 2363/4885PARP1 821/4885JAK2 208/4885

“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.