SCHEMBL16702465

SCHEMBL16702465

O=[N+]([O-])c1cnccc1Sc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 6/20 0.55
▸ PDE7B Q9NP56 3/20 0.55
▸ PDE4B Q07343 2/20 0.52
▸ PDE4D Q08499 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ GSTP1 P09211 1/20 0.51
▸ GSTM2 P28161 1/20 0.51
▸ MAPT P10636 5/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GAA P10253 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ PTGS1 P23219 2/20 0.44
▸ PTGS2 P35354 2/20 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
SCHEMBL28022779 0.84 LMNA (0.54) PDE7APDE7BPDE4BPDE4DALDH1A1
SCHEMBL641092 0.80 PDE7A (0.63) PDE7APDE7BPDE4BPDE4DALDH1A1
SCHEMBL1137534 0.79 ALDH1A1 (0.47) PDE7APDE7BPDE4BPDE4DALDH1A1
SCHEMBL30338244 0.79 PDE7A (0.65) PDE7APDE7BALDH1A1GSTP1GSTM2
SCHEMBL1713219 0.79 PDE7A (0.65) PDE7APDE7BALDH1A1GSTP1GSTM2
SCHEMBL10681839 0.77 MEN1 (0.56) ALDH1A1GSTP1GSTM2MAPTMEN1
SCHEMBL8757145 0.76 MAPT (0.45) PDE7APDE7BPDE4BPDE4DALDH1A1
SCHEMBL31354776 0.76 CA12 (0.46) PDE7APDE7BPDE4BPDE4DALDH1A1
SCHEMBL19048971 0.73 PDE7A (0.71) PDE7APDE7BPDE4BPDE4DALDH1A1
SCHEMBL9709555 0.73 PDE7A (0.58) PDE7APDE7BALDH1A1GSTP1GSTM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066093-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 — — EP disclosed
EP-3066093-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 — — EP disclosed
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 — — EP disclosed
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 — — EP disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 — — US disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 — — US disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 — — US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 — — US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 — — US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 — — US disclosed
EP-3066093-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-14 — — EP disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 — — WO disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 — — 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-20160272621-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP PDE7A 2086/4885PDE7B 1940/4885PDE4B 2948/4885

“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.

Send feedback