SCHEMBL2916070

SCHEMBL2916070

CCOc1cc(B(O)O)c(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TUBB1 Q9H4B7 1/20 0.36
TSHR P16473 3/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 3/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL29953693 0.92 KDM1A (0.38) KDM1APDE4APDE4BPDE4CPDE4D
SCHEMBL4886560 0.86 KDM1A (0.39) KDM1APDE4APDE4BPDE4CPDE4D
SCHEMBL4599515 0.85 TDP1 (0.38) KDM1APDE4APDE4BPDE4CPDE4D
SCHEMBL2914756 0.84 PDE4D (0.44) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL19777818 0.79 TSHR (0.42) L3MBTL1TSHRCYP3A4ALDH1A1LMNA
SCHEMBL16687404 0.78 L3MBTL1 (0.38) KDM1AHTTL3MBTL1TUBB1TSHR
SCHEMBL29417474 0.78 L3MBTL1 (0.38) KDM1AHTTL3MBTL1TUBB1TSHR
SCHEMBL28935316 0.78 TSHR (0.36) KDM1APDE4APDE4BPDE4CPDE4D
SCHEMBL30154767 0.78 ENPP2 (0.43) KDM1AHTTTUBB1LMNAMAPK1
SCHEMBL12097369 0.78 ENPP2 (0.43) KDM1AHTTTUBB1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376436-B2 2-(pyridin-2yl)-1, 7-diaza-spiro [4.4] nonane-6-one compound as voltage-gated sodium channels modulators Convergence Pharmaceuticals Limited (GB) 2016-06-28 US disclosed
EP-2794612-B1 2-(PYRIDIN-2YL)-1,7-DIAZA-SPIRO[4.4]NONANE-6-ONE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2016-04-06 EP disclosed
US-20150225400-A1 2 - (PYRIDIN- 2YL)- 1, 7 -DIAZA-SPIRO [4.4] NONANE- 6 -ONE COMPOUND AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS Convergence Pharmaceuticals Limited (GB) 2015-08-13 US disclosed
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP disclosed
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 EP disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 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-20150225400-A1 2 - (PYRIDIN- 2YL)- 1, 7 -DIAZA-SPIRO [4.4] NONANE- 6 -ONE COMPOUND AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS SCN1A, SCN2A, SCN1B KDM1A 2114/4885PDE4A 431/4885PDE4B 484/4885
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 KDM1A 1648/4885PDE4A 1853/4885PDE4B 1893/4885

“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.