SCHEMBL5328859

SCHEMBL5328859

CCCCCn1[nH]cc2c(=O)nc3ccccc3c1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ATM Q13315 1/20 0.42
PARP1 P09874 1/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ELANE P08246 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTK2B Q14289 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
SLC2A1 P11166 1/20 0.39
MPO P05164 1/20 0.39
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38

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
SCHEMBL5333577 0.83 HTT (0.41) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL23398967 0.68 MEN1 (0.52) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL10526480 0.66 TSHR (0.74) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7350573 0.64 PDE4A (0.93) PDE4APDE4BPDE4CPDE4D
SCHEMBL10866374 0.64 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL11501103 0.64 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL14259780 0.64 TSHR (0.64) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL1760407 0.63 ALOX5 (0.59) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL3268514 0.63 LMNA (0.48) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL23399580 0.63 BRD4 (0.42) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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
EP-1427706-B1 SUBSTITUTED PYRAZOLO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-05-30 EP disclosed
US-7211597-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2007-05-01 US disclosed
US-20030114432-A1 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-06-19 US disclosed
US-5565482-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS G.D. SEARLE & CO. (US) 1996-10-15 US disclosed
US-5547975-A ANTIARTHRIC AGENTS, ANALGESICS AND ANTIPYRETICS; INHIBITORS OF CYCLOOXYGENASE II; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 1996-08-20 US disclosed
WO-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 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 (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-20030114432-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 PDE4A 1888/4885PDE4B 1878/4885PDE4C 2734/4885

“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.