SCHEMBL2969811

SCHEMBL2969811

CSc1cc2c(COC3CCCCO3)ccc(I)n2n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.36
SLC6A4 P31645 4/20 0.36
HTR2A P28223 1/20 0.36
KDM4C Q9H3R0 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CREBBP Q92793 2/20 0.32
EP300 Q09472 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
DHFR P00374 1/20 0.30
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30

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
SCHEMBL3207810 0.74 NPC1 (0.39) HTR2CSLC6A4HTR2AKDM4CNPC1
SCHEMBL3219605 0.73 PDE4B (0.39) HTR2CSLC6A4HTR2AKDM4CNPC1
SCHEMBL13851135 0.72 CREBBP (0.33) HTR2CSLC6A4HTR2AKDM4CNPC1
SCHEMBL3212270 0.69 NPC1 (0.39) HTR2CSLC6A4HTR2AKDM4CNPC1
SCHEMBL23665798 0.68 KDM4C (0.41) SLC6A4KDM4CNPC1RAB9ACREBBP
SCHEMBL29899652 0.67 MAPK1 (0.36) SLC6A4KDM4CNPC1RAB9ACREBBP
SCHEMBL23647685 0.67 MAPK1 (0.36) SLC6A4KDM4CNPC1RAB9ACREBBP
SCHEMBL23647719 0.66 KDM4C (0.35) KDM4CNPC1RAB9ACREBBPEP300
SCHEMBL29899644 0.66 KDM4C (0.35) KDM4CNPC1RAB9ACREBBPEP300
SCHEMBL13266058 0.65 KDM4C (0.33) KDM4CNPC1RAB9ACREBBPEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763617-B2 Pyrazolopyridine-4-yl pyridazinone derivatives and addition salts thereof, and PDE inhibitors comprising the same derivatives or salts as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-7763617-B2 Pyrazolopyridine-4-yl pyridazinone derivatives and addition salts thereof, and PDE inhibitors comprising the same derivatives or salts as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-7763617-B2 Pyrazolopyridine-4-yl pyridazinone derivatives and addition salts thereof, and PDE inhibitors comprising the same derivatives or salts as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 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 (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-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient PDE5A, PDE3A, PDE3B HTR2C 1776/4885SLC6A4 1105/4885HTR2A 2160/4885

“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.