SCHEMBL8311808

SCHEMBL8311808

CNc1ccc2c(c1)nnn2C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.56
NPC1 O15118 7/20 0.56
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 4/20 0.55
HPGD P15428 3/20 0.55
RXFP1 Q9HBX9 1/20 0.52
HCAR3 P49019 1/20 0.51
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SLC9A1 P19634 1/20 0.50
KEAP1 Q14145 1/20 0.50
HTT P42858 1/20 0.50
GLA P06280 1/20 0.48
NSD2 O96028 1/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
Hydrochloric Acid SCHEMBL28573074 0.98 RAB9A (0.55) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL12891301 0.81 BRD4 (0.55) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL26802185 0.78 RAB9A (0.68) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL13604179 0.74 RAB9A (0.77) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL210242 0.73 NPC1 (0.54) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL2374744 0.73 HCAR3 (0.54) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL18323574 0.73 HCAR3 (0.54) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL12100525 0.73 HCAR3 (0.54) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL1133392 0.73 RAB9A (0.56) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL18911786 0.73 HCAR3 (0.54) RAB9ANPC1KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118043316-A Factor XIIa inhibitors 卢纳克治疗有限公司 2024-05-14 CN disclosed
EP-1944305-B1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2011-10-19 EP disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
EP-1944305-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 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 (3 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-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors PDE3B, PDE4B, PDE4A RAB9A 211/4885NPC1 4158/4885KDM4E 786/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A RAB9A 211/4885NPC1 4158/4885KDM4E 786/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A RAB9A 211/4885NPC1 4158/4885KDM4E 786/4885

“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.