SCHEMBL2744741

SCHEMBL2744741

O=Cc1c[nH]nc1-c1ccc2oc(=O)[nH]c(=O)c2c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
PTPN1 P18031 3/20 0.33
PTPN2 P17706 2/20 0.33
NOS3 P29474 2/20 0.30
NOS1 P29475 2/20 0.30
NOS2 P35228 2/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
ADRA2A P08913 1/20 0.30
TSHR P16473 1/20 0.30
THPO P40225 1/20 0.30
BLM P54132 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL21243702 0.72 GPR55 (0.39)
SCHEMBL26125109 0.68 IDO1 (0.43) NPSR1
SCHEMBL16223030 0.66 LMNA (0.56) LMNATSHR
SCHEMBL4908543 0.66 ESR1 (0.41) PDE3BPDE3A
SCHEMBL4246815 0.66 PTGS2 (0.47)
SCHEMBL1335905 0.66 XDH (0.39) LMNA
SCHEMBL1335295 0.66 RAB9A (0.44) LMNA
SCHEMBL27790305 0.65 GP6 (0.39) PTPN1PTPN2
SCHEMBL1335198 0.65 PTGS2 (0.45) LMNABLMNPSR1
SCHEMBL27450956 0.65 LMNA (0.34) LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2012-08-09 US disclosed
US-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2012-08-09 US disclosed
US-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2012-08-09 US disclosed
US-8178526-B2 Compounds and compositions as ITPKb inhibitors IRM LLC (BM) 2012-05-15 US disclosed
US-8178526-B2 Compounds and compositions as ITPKb inhibitors IRM LLC (BM) 2012-05-15 US disclosed
US-8178526-B2 Compounds and compositions as ITPKb inhibitors IRM LLC (BM) 2012-05-15 US disclosed
EP-2167498-B1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-09-15 EP disclosed
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-07-22 US disclosed
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-07-22 US disclosed
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-07-22 US disclosed
CN-101743243-A Compounds and compositions as ITPKB inhibitors IRM LLC 2010-06-16 CN disclosed
EP-2167498-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-03-31 EP disclosed
WO-2008157210-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-12-24 WO disclosed
WO-2008157210-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-12-24 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-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 PDE3B 989/4885PDE3A 1440/4885PTPN1 653/4885
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K3, IP6K2 PDE3B 527/4885PDE3A 930/4885PTPN1 689/4885

“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.