SCHEMBL5333577

SCHEMBL5333577

CCCCCn1[nH]cc2c(=O)nc3ncccc3c1-2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
PDE4A P27815 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
PDE4D Q08499 4/20 0.40
HCAR2 Q8TDS4 6/20 0.38
MAPT P10636 1/20 0.37
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KAT2B Q92831 1/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL5328859 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9844054 0.62 HCAR2 (0.71) HCAR2
SCHEMBL3100024 0.59 RORA (0.59) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL1713448 0.59 HTT (0.75) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL2076414 0.59 ELANE (0.47) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL23398967 0.59 MEN1 (0.52) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL10528152 0.59 F2 (0.43) HCAR2
SCHEMBL1567707 0.59 HTT (0.51) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL19897480 0.59 PGR (0.49) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL7645564 0.59 ADORA2B (0.42) PDE4APDE4BPDE4CPDE4DMAPT

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 HTT 2432/4885PDE4A 1888/4885PDE4B 1878/4885

“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.