SCHEMBL2774909

SCHEMBL2774909

CCOC(=O)Cc1c(C)cn2cc(C#N)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C9 P11712 1/20 0.40
SLC34A1 Q06495 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
GRM5 P41594 1/20 0.37
USP14 P54578 2/20 0.37
KMT2A Q03164 3/20 0.36
ELANE P08246 1/20 0.36
MEN1 O00255 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NLRP3 Q96P20 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL2773038 0.82 KDM4E (0.39) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL2769389 0.81 MAPT (0.39) KDM4EMAPTALDH1A1HPGDCYP2C9
SCHEMBL2769817 0.77 PPARG (0.38) MAPTHPGDGRM5GAAL3MBTL1
SCHEMBL12618991 0.73 KDM4E (0.45) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL20157331 0.71 KDM4E (0.44) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL4801215 0.71 CYP2A6 (0.50) KDM4EMAPTALDH1A1HSD17B10TDP1
SCHEMBL4635671 0.71 HTT (0.39) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL3595719 0.70 KDM4E (0.42) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL15752905 0.70 PDCD1 (0.45) KDM4EALDH1A1HPGDTDP1USP14
SCHEMBL30088492 0.70 PDCD1 (0.45) KDM4EALDH1A1HPGDTDP1USP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093751-A1 Indolizineacetic Acids and Their Therapeutic Use as Ligands of the CRTH2 Receptor ARGENTA DISCOVERY LIMITED (GB) 2010-04-15 US disclosed
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-2121686-A1 INDOLIZINEACETIC ACIDS AND THEIR THERAPEUTIC USE AS LIGANDS OF THE CRTH2 RECEPTOR Argenta Discovery Limited (GB) 2009-11-25 EP 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-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed
WO-2008078069-A1 INDOLIZINEACETIC ACIDS AND THEIR THERAPEUTIC USE AS LIGANDS OF THE CRTH2 RECEPTOR ARGENTA DISCOVERY LIMITED (GB) 2008-07-03 WO 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 (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-20100093751-A1 Indolizineacetic Acids and Their Therapeutic Use as Ligands of the CRTH2 Receptor HRH2, HRH4, HRH1 KDM4E 4791/4885MAPT 4840/4885ALDH1A1 1384/4885
US-20090163534-A1 Indolizine Derivatives HRH4, HRH2, NR1H2 KDM4E 4750/4885MAPT 4698/4885ALDH1A1 3086/4885
US-20100010034-A1 CRTH2 ANTAGONISTS HRH2, MDH2, HRH1 KDM4E 3995/4885MAPT 4291/4885ALDH1A1 831/4885

“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.