SCHEMBL3063558

SCHEMBL3063558

Cc1cc(Cl)c2cccc(Cl)c2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.71
MAPT P10636 3/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
CRHR1 P34998 4/20 0.61
PARP1 P09874 2/20 0.50
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
CYP3A4 P08684 1/20 0.43
CD38 P28907 1/20 0.43
DHODH Q02127 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL9830968 0.86 NR4A2 (0.69) NR4A2MAPTL3MBTL1CRHR1PARP1
SCHEMBL318514 0.86 MAPT (0.64) NR4A2MAPTL3MBTL1CRHR1LMNA
SCHEMBL3051550 0.83 MAPT (0.60) NR4A2MAPTL3MBTL1CRHR1LMNA
SCHEMBL438980 0.83 NR4A2 (1.00) NR4A2MAPTL3MBTL1CRHR1PARP1
SCHEMBL1026984 0.83 NR4A2 (0.65) NR4A2MAPTL3MBTL1CRHR1PARP1
SCHEMBL661993 0.83 MAPT (0.60) NR4A2MAPTL3MBTL1CRHR1PARP1
SCHEMBL317207 0.83 MAPT (0.60) NR4A2MAPTL3MBTL1CRHR1LMNA
SCHEMBL461099 0.83 MAPT (0.69) NR4A2MAPTL3MBTL1CRHR1LMNA
SCHEMBL10005935 0.81 MAPT (0.72) NR4A2MAPTL3MBTL1CRHR1LMNA
SCHEMBL24425989 0.80 NR4A2 (0.61) NR4A2MAPTL3MBTL1CRHR1PARP1

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
EP-2974729-A1 Quinoline derivatives for use in the treatment of inflammatory diseases ABIVAX (FR) 2016-01-20 EP disclosed
US-8420670-B2 4-benzylaminoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2013-04-16 US disclosed
US-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-09-02 US disclosed
EP-2178842-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2010-04-28 EP disclosed
WO-2009024611-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2009-02-26 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-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY GDI2, GDI1, NQO2 NR4A2 3235/4885MAPT 2051/4885L3MBTL1 4811/4885

“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.