SCHEMBL5423245

SCHEMBL5423245

CC(C)Cc1nn2ccccc2c1-c1ccnc([S+](C)[O-])n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 3/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ PDE5A O76074 3/20 0.34
▸ PDE3A Q14432 1/20 0.33
▸ MIF P14174 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ EGFR P00533 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31

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
SCHEMBL5441996 0.80 TGFBR1 (0.47) PDE4BMAPK9MAPK10PDE10APDE5A
SCHEMBL14593062 0.75 GSK3B (0.55) MAPK9EGFRRAF1ADORA3ADORA2A
SCHEMBL5212674 0.74 GSK3B (0.43) PDE4BMAPK9MAPK10PDE10AEGFR
SCHEMBL5426190 0.74 MAPK9 (0.56) PDE4BMAPK9MAPK10PDE10AGSK3B
SCHEMBL13847898 0.72 SLC2A1 (0.40) PDE4BMAPK9MAPK10PDE10AEGFR
SCHEMBL3442305 0.70 MEN1 (0.42) EGFR
SCHEMBL5429257 0.67 TGFBR1 (0.48) PDE4BMAPK9MAPK10PDE10APDE5A
SCHEMBL13044401 0.66 PDE4B (0.62) PDE4BMAPK9MAPK10PDE10APDE5A
SCHEMBL5426787 0.65 CDK4 (0.48) PDE4BMAPK9MAPK10PDE10AGSK3B
SCHEMBL27997668 0.64 AURKA (0.50) MAPK9MAPK10EGFRADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153863-B2 Therapeutic compounds based on pyrazolopyridline derivatives SMITHKLINE BEECHAM CORPORATION (US) 2006-12-26 — — US claimed
US-20050282842-A1 Therapeutic compounds based on pyrazolopyridine derivatives SMITHKLINE BEECHAM CORPORATION 2005-12-22 — — US claimed
US-20070112014-A1 Therapeutic Compounds Based on Pyrazolopyridine GUDMUNDSSON KRISTJAN S 2007-05-17 — — US disclosed
US-20070112014-A1 Therapeutic Compounds Based on Pyrazolopyridine GUDMUNDSSON KRISTJAN S 2007-05-17 — — US disclosed
US-20070112014-A1 Therapeutic Compounds Based on Pyrazolopyridine GUDMUNDSSON KRISTJAN S 2007-05-17 — — US disclosed
US-7153863-B2 Therapeutic compounds based on pyrazolopyridline derivatives SMITHKLINE BEECHAM CORPORATION (US) 2006-12-26 — — US disclosed
US-20050282842-A1 Therapeutic compounds based on pyrazolopyridine derivatives SMITHKLINE BEECHAM CORPORATION 2005-12-22 — — US 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-20050282842-A1 Therapeutic compounds based on pyrazolopyridine derivatives CYP3A5, QDPR, DPYD PDE4B 77/4885MAPK9 1045/4885MAPK10 2246/4885
US-20070112014-A1 Therapeutic Compounds Based on Pyrazolopyridine CYP3A5, QDPR, DPYD PDE4B 64/4885MAPK9 1306/4885MAPK10 2260/4885

“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.

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