SCHEMBL2326296

SCHEMBL2326296

O=C(O)c1cn2cc(F)cnc2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ASPH Q12797 1/20 0.37
KDM8 Q8N371 1/20 0.37
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GRM5 P41594 8/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
P4HTM Q9NXG6 3/20 0.33
NAPRT Q6XQN6 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL23571979 0.82 PTGS1 (0.41) PTGS1PTGS2RXFP1KDM4EASPH
SCHEMBL2723092 0.81 KMT2A (0.39) PTGS1PTGS2RXFP1KDM4EASPH
SCHEMBL3499989 0.81 RXFP1 (0.50) PTGS1PTGS2RXFP1KDM4EADORA2A
SCHEMBL23553891 0.81 RXFP1 (0.43) PTGS1PTGS2RXFP1KDM4EADORA2A
Bromide SCHEMBL2731255 0.79 RXFP1 (0.49) PTGS1PTGS2RXFP1KDM4EADORA2A
SCHEMBL31035692 0.79 KDM4E (0.61) RXFP1KDM4EALDH1A1HPGD
SCHEMBL23534192 0.76 KDM4E (0.44) PTGS1PTGS2RXFP1KDM4EADORA2A
SCHEMBL23535525 0.75 PTGS1 (0.36) PTGS1PTGS2RXFP1KDM4EADORA2A
SCHEMBL21033716 0.73 CCNC (0.46)
SCHEMBL8346854 0.73 PTGS1 (0.35) PTGS1PTGS2RXFP1KDM4EADORA2A

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
EP-3263583-A1 IAP BIR DOMAIN BINDING COMPOUNDS Pharmascience Inc. (CA) 2018-01-03 EP disclosed
EP-2534170-B1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2017-04-19 EP disclosed
EP-2534170-B1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2017-04-19 EP disclosed
US-9284350-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-03-15 US disclosed
US-9284350-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-03-15 US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 US disclosed
EP-2534170-A1 IAP BIR DOMAIN BINDING COMPOUNDS Pharmascience Inc. (CA) 2012-12-19 EP disclosed
WO-2011098904-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2011-08-18 WO disclosed
WO-2011098904-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2011-08-18 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 (1 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-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 PTGS1 1824/4885PTGS2 3799/4885RXFP1 3054/4885

“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.