SCHEMBL3325939

SCHEMBL3325939

CCOC(=O)Cc1c(C)cc2cc(C#N)ccn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GRM5 P41594 3/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
SLC34A1 Q06495 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL4635671 0.82 HTT (0.39) PDCD1CD274KDM4EGRM5CYP1A2
SCHEMBL4635700 0.81 ALDH1A1 (0.40) KDM4ECYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL4635494 0.78 L3MBTL1 (0.59) KDM4ECYP1A2ALDH1A1HPGDL3MBTL1
SCHEMBL4636895 0.78 KCNN4 (0.39) GRM5ALDH1A1L3MBTL1HTTATM
SCHEMBL2773038 0.72 KDM4E (0.39) PDCD1CD274KDM4EGRM5CYP1A2
SCHEMBL30088492 0.72 PDCD1 (0.45) PDCD1CD274KDM4EALDH1A1HPGD
SCHEMBL15752905 0.72 PDCD1 (0.45) PDCD1CD274KDM4EALDH1A1HPGD
SCHEMBL4636111 0.71 MAPT (0.38) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL4636239 0.69 PTGDR2 (0.35) ALDH1A1FNTAFNTBTDP1MAPT
SCHEMBL23832289 0.69 PDCD1 (0.45) PDCD1CD274KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137300-A1 Indolizine Acetic Acid Derivatives as CRTH2 Antagonists ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-06-03 US disclosed
EP-2136804-A1 INDOLIZINE ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Argenta Oral Therapeutics Limited (GB) 2009-12-30 EP disclosed
WO-2009044134-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed
US-20080306109-A1 Indolizine Derivatives as Ligands of the Crth2 Receptor ARGENTA DISCOVERY LIMITED (GB) 2008-12-11 US disclosed
WO-2008113965-A1 INDOLIZINE ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-09-25 WO disclosed
EP-1931663-A1 IMDOLIZINE DERIVATIVES AS LIGANDS OF THE CRTH2 RECEPTOR Argenta Discovery Limited (GB) 2008-06-18 EP disclosed
WO-2007031747-A1 IMDOLIZINE DERIVATIVES AS LIGANDS OF THE CRTH2 RECEPTOR ARGENTA DISCOVERY LIMITED (GB) 2007-03-22 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-20080306109-A1 Indolizine Derivatives as Ligands of the Crth2 Receptor HRH4, HRH2, HRH3 PDCD1 3957/4885CD274 3364/4885KDM4E 4771/4885
US-20100137300-A1 Indolizine Acetic Acid Derivatives as CRTH2 Antagonists HRH1, HRH4, HRH2 PDCD1 2788/4885CD274 2496/4885KDM4E 3427/4885

“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.