SCHEMBL2773038

SCHEMBL2773038

CCOC(=O)Cc1c(C)cn2ccc(C#N)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C9 P11712 1/20 0.38
GRM5 P41594 2/20 0.38
SLC34A1 Q06495 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
USP14 P54578 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
ALOX15 P16050 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GAA P10253 2/20 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
SCHEMBL2774909 0.82 KDM4E (0.40) KDM4EALDH1A1MAPTPDCD1CD274
SCHEMBL2770063 0.78 GSR (0.38) ALDH1A1MAPTHPGDGRM5KMT2A
SCHEMBL12618994 0.75 KDM4E (0.50) KDM4EALDH1A1MAPTPDCD1CD274
SCHEMBL3325939 0.72 PDCD1 (0.39) KDM4EALDH1A1MAPTPDCD1CD274
SCHEMBL15752905 0.71 PDCD1 (0.45) KDM4EALDH1A1PDCD1CD274HPGD
SCHEMBL30088492 0.71 PDCD1 (0.45) KDM4EALDH1A1PDCD1CD274HPGD
SCHEMBL3577709 0.70 MAPT (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL20157331 0.70 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL23832289 0.68 PDCD1 (0.45) KDM4EALDH1A1PDCD1CD274HPGD
SCHEMBL30088453 0.68 PDCD1 (0.54) PDCD1CD274GRM5POLBALOX15

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
EP-1910357-B1 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LTD (GB) 2010-04-14 EP disclosed
US-20100010034-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2010-01-14 US disclosed
EP-2094266-A1 CRTH2 ANTAGONISTS Argenta Discovery Limited (GB) 2009-09-02 EP disclosed
US-20090163534-A1 Indolizine Derivatives ARGENTA DISCOVERY LIMITED (GB) 2009-06-25 US disclosed
WO-2008074966-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-06-26 WO disclosed
EP-1910357-A2 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS Argenta Discovery Limited (GB) 2008-04-16 EP disclosed
WO-2006136859-A2 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2006-12-28 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-20090163534-A1 Indolizine Derivatives HRH4, HRH2, NR1H2 KDM4E 4750/4885ALDH1A1 3086/4885MAPT 4698/4885
US-20100010034-A1 CRTH2 ANTAGONISTS HRH2, MDH2, HRH1 KDM4E 3995/4885ALDH1A1 831/4885MAPT 4291/4885

“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.