SCHEMBL3207452

SCHEMBL3207452

COc1ccc(-c2nn3ccccc3c2C(=O)C(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
ADORA1 P30542 3/20 0.57
MIF P14174 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
PDE5A O76074 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
PDE4A P27815 1/20 0.57
ADORA2A P29274 1/20 0.57
CYP2C19 P33261 1/20 0.57
BLM P54132 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
PDE3B Q13370 1/20 0.57

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
SCHEMBL3187134 0.87 KMT2A (0.66) ALDH1A1ADORA1MIFMEN1KMT2A
SCHEMBL13610008 0.85 EGFR (0.46) ALDH1A1ADORA1MIFMEN1KMT2A
SCHEMBL3194201 0.85 ALDH1A1 (0.60) ALDH1A1ADORA1MIFMEN1KMT2A
SCHEMBL3193389 0.85 ALDH1A1 (0.60) ALDH1A1ADORA1MIFMEN1KMT2A
SCHEMBL3187323 0.83 EGFR (0.45) ALDH1A1ADORA1MIFMEN1KMT2A
SCHEMBL3201022 0.83 EGFR (0.44) ALDH1A1ADORA1MIFMEN1KMT2A
SCHEMBL3201032 0.83 EGFR (0.44) ALDH1A1ADORA1MIFMEN1KMT2A
SCHEMBL3197295 0.79 PDE5A (0.66) ALDH1A1ADORA1MIFMEN1KMT2A
SCHEMBL8224745 0.76 MAPK14 (0.49) ALDH1A1ADORA1MIFMEN1KMT2A
Hydrochloric Acid SCHEMBL3197694 0.75 MAPK14 (0.48) ALDH1A1ADORA1MIFMEN1KMT2A

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-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
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

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 ALDH1A1 773/4885ADORA1 422/4885MIF 4551/4885
US-20080070912-A1 Substituted pyrazolo [1,5-a] pyridine compounds and their methods of use PNPO, PDXK, P2RX5 ALDH1A1 549/4885ADORA1 361/4885MIF 4456/4885
US-20100035920-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE PNPO, PDXK, CYP3A5 ALDH1A1 773/4885ADORA1 422/4885MIF 4551/4885

“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.