SCHEMBL2963112

SCHEMBL2963112

Cc1ccc(C#N)nc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
SOS2 Q07890 1/20 0.37
TKT P29401 1/20 0.35
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
CTSB P07858 2/20 0.30
SRC P12931 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RECQL P46063 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL30403774 1.00 NQO1 (0.39) NQO1ALDH1A1KDM4ESOS2TKT
SCHEMBL24141592 0.82 MEN1 (0.41) NQO1ALDH1A1KDM4ESOS2POLB
SCHEMBL31003370 0.81 NQO1 (0.40) NQO1ALDH1A1KDM4ESOS2POLB
SCHEMBL2960636 0.81 NQO1 (0.35) NQO1ALDH1A1SOS2EGLN2MEN1
SCHEMBL31088161 0.81 NQO1 (0.35) NQO1ALDH1A1SOS2EGLN2MEN1
SCHEMBL16835564 0.79 KDM4E (0.39) NQO1ALDH1A1KDM4ESOS2POLB
SCHEMBL837045 0.78 SOS2 (0.38) NQO1ALDH1A1KDM4ESOS2TKT
SCHEMBL18137676 0.77 SOS2 (0.37) NQO1KDM4ESOS2CTSBSRC
SCHEMBL23565835 0.75 HTR2A (0.33) NQO1SOS2CCNCCDK8
SCHEMBL2959300 0.75 ALDH1A1 (0.38) NQO1ALDH1A1KDM4ESOS2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116323599-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-06-23 CN disclosed
US-7759369-B2 Pyridine compounds for the treatment of prostaglandin mediated diseases GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-20100137378-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
EP-2053042-A1 Pyridine compounds for the treatment of prostaglandin mediated diseases Glaxo Group Limited (GB) 2009-04-29 EP disclosed
EP-1833795-B1 PYRIDINE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LTD (GB) 2009-03-04 EP disclosed
US-20080249138-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases MARTIN PAUL GIBLIN GERARD 2008-10-09 US disclosed
EP-1833795-A1 PYRIDINE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2007-09-19 EP disclosed
WO-2006066968-A1 PYRIDINE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2006-06-29 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 (2 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-20100137378-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases PTGER1, PTGDR, PTGER2 NQO1 827/4885ALDH1A1 2043/4885KDM4E 2290/4885
US-20080249138-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases PTGER1, PTGDR, PTGER4 NQO1 492/4885ALDH1A1 1882/4885KDM4E 2030/4885

“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.