SCHEMBL3197471

SCHEMBL3197471

CC(C)CC(N)C(=O)c1c(C(C)C)nn2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.70
PDE5A O76074 6/20 0.70
PDE3A Q14432 4/20 0.70
MIF P14174 2/20 0.70
ALDH1A1 P00352 2/20 0.70
MEN1 O00255 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
TSHR P16473 1/20 0.70
PDE4A P27815 1/20 0.70
ADORA2A P29274 1/20 0.70
ADORA1 P30542 1/20 0.70
CYP2C19 P33261 1/20 0.70
BLM P54132 1/20 0.70
KMT2A Q03164 1/20 0.70
PDE4C Q08493 1/20 0.70
PDE4D Q08499 1/20 0.70
PDE3B Q13370 1/20 0.70

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
SCHEMBL3206069 0.89 PDE4B (0.71) PDE4BPDE5APDE3AMIFALDH1A1
SCHEMBL652912 0.85 PDE4B (0.79) PDE4BPDE5APDE3AMIFALDH1A1
SCHEMBL652753 0.85 PDE4B (0.79) PDE4BPDE5APDE3AMIFALDH1A1
SCHEMBL10033623 0.85 PDE4B (0.79) PDE4BPDE5APDE3AMIFALDH1A1
SCHEMBL3205866 0.85 PDE4B (0.67) PDE4BPDE5APDE3AMIFALDH1A1
SCHEMBL3197325 0.84 PDE4B (0.65) PDE4BPDE5APDE3AMIFALDH1A1
Hydrochloric Acid SCHEMBL652575 0.84 PDE4B (0.77) PDE4BPDE5APDE3AMIFALDH1A1
Hydrochloric Acid SCHEMBL653339 0.84 PDE4B (0.77) PDE4BPDE5APDE3AMIFALDH1A1
Ibudilast SCHEMBL4194864 0.83 PDE4B (1.00) PDE4BPDE5APDE3AMIFALDH1A1
Ibudilast SCHEMBL30390 0.83 PDE4B (1.00) PDE4BPDE5APDE3AMIFALDH1A1

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-20100035920-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE AVIGEN, INC. (US) 2010-02-11 US disclosed
US-20100035920-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE AVIGEN, INC. (US) 2010-02-11 US disclosed
US-20100035920-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE AVIGEN, INC. (US) 2010-02-11 US disclosed
US-20090318437-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE MEDICINOVA, INC. 2009-12-24 US disclosed
US-20090318437-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE MEDICINOVA, INC. 2009-12-24 US disclosed
US-20090318437-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE MEDICINOVA, INC. 2009-12-24 US disclosed
US-7585875-B2 Substituted pyrazolo[1,5-a]pyridine compounds and their methods of use AVIGEN, INC. (US) 2009-09-08 US disclosed
US-7585875-B2 Substituted pyrazolo[1,5-a]pyridine compounds and their methods of use AVIGEN, INC. (US) 2009-09-08 US disclosed
US-7585875-B2 Substituted pyrazolo[1,5-a]pyridine compounds and their methods of use AVIGEN, INC. (US) 2009-09-08 US disclosed
EP-2038279-A2 SUBSTITUTED PYRAZOLO [1,5- ALPHA] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE Avigen, Inc. (US) 2009-03-25 EP disclosed
US-20080070912-A1 Substituted pyrazolo [1,5-a] pyridine compounds and their methods of use AVIGEN, INC. (US) 2008-03-20 US disclosed
US-20080070912-A1 Substituted pyrazolo [1,5-a] pyridine compounds and their methods of use AVIGEN, INC. (US) 2008-03-20 US disclosed
WO-2007146087-A2 SUBSTITUTED PYRAZOLO [1,5-α] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE AVIGEN, INC. (US) 2007-12-21 WO disclosed
WO-2007146087-A2 SUBSTITUTED PYRAZOLO [1,5-α] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE AVIGEN, INC. (US) 2007-12-21 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 (3 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-20090318437-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE PNPO, PDXK, CYP3A5 PDE4B 383/4885PDE5A 418/4885PDE3A 620/4885
US-20080070912-A1 Substituted pyrazolo [1,5-a] pyridine compounds and their methods of use PNPO, PDXK, P2RX5 PDE4B 351/4885PDE5A 413/4885PDE3A 557/4885
US-20100035920-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE PNPO, PDXK, CYP3A5 PDE4B 383/4885PDE5A 418/4885PDE3A 620/4885

“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.