SCHEMBL2207329

SCHEMBL2207329

O=C(O)Cn1cc(-c2n[nH]c(=O)c3ccccc23)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
PDE3B Q13370 1/20 0.57
PDE3A Q14432 1/20 0.57
ROCK1 Q13464 3/20 0.51
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 3/20 0.47
STAT3 P40763 1/20 0.47
LMNA P02545 1/20 0.47
TBXAS1 P24557 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CHRM1 P11229 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA9 Q16790 2/20 0.45
CA2 P00918 1/20 0.44

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
SCHEMBL7817940 0.76 KMT2A (0.51) PDE4BPDE4DKMT2ASTAT3LMNA
SCHEMBL2208368 0.74 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17338019 0.73 PDE4B (0.68) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL28743782 0.71 KMT2A (0.45) PDE4BPDE4DKMT2ASTAT3TBXAS1
SCHEMBL1520240 0.70 TBXAS1 (0.64) KMT2ASTAT3TBXAS1ALDH1A1KDM4E
SCHEMBL28101197 0.70 CCNE2 (0.53) KMT2A
SCHEMBL10091947 0.70 ATM (0.60) ROCK1ATMNPSR1LMNAALDH1A1
SCHEMBL30834686 0.69 CCNE2 (0.71) KMT2A
SCHEMBL11895927 0.69 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL24199376 0.69 KMT2A (0.61) KMT2ASTAT3TBXAS1ALDH1A1KDM4E

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-7981912-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH LLC (US) 2011-07-19 US disclosed
US-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH (US) 2010-01-21 US disclosed
US-7601749-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2009-10-13 US disclosed
EP-1805171-A4 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH CORP (US) 2009-05-13 EP disclosed
US-20090111867-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH (US) 2009-04-30 US disclosed
US-7476667-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2009-01-13 US disclosed
US-20080255100-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH (US) 2008-10-16 US disclosed
US-7405215-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2008-07-29 US disclosed
EP-1805171-A2 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF Athersys, Inc. (US) 2007-07-11 EP disclosed
US-20060100425-A1 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof ATHERSYS, INC. 2006-05-11 US disclosed
WO-2006034419-A2 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF ATHERSYS, INC. (US) 2006-03-30 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 (4 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-20060100425-A1 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof PTGDR2, TBXA2R, HCAR2 PDE4A 1110/4885PDE4B 1313/4885PDE4C 1673/4885
US-20080255100-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 PDE4A 1110/4885PDE4B 1313/4885PDE4C 1673/4885
US-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 PDE4A 1110/4885PDE4B 1313/4885PDE4C 1673/4885
US-20090111867-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 PDE4A 1110/4885PDE4B 1313/4885PDE4C 1673/4885

“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.