SCHEMBL2991973

SCHEMBL2991973

COc1cc(C(CC#N)N2C(=O)c3csc(N)c3C2=O)ccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.60
PDE4A P27815 12/20 0.60
PDE4C Q08493 12/20 0.60
PDE4D Q08499 12/20 0.60
TNF P01375 6/20 0.43
UTS2R Q9UKP6 2/20 0.41
PRKCZ Q05513 1/20 0.40

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
SCHEMBL2990454 0.89 PDE4B (0.68) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL2999933 0.89 PDE4B (0.65) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL2994300 0.87 PDE4A (0.67) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL15015466 0.86 TNF (0.61) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL2990807 0.85 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL28454958 0.84 PDE4B (0.61) PDE4BPDE4APDE4CPDE4D
SCHEMBL2995402 0.80 PDE4B (0.73) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL5905090 0.76 PDE4A (1.00) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL2996464 0.75 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL28466548 0.75 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US claimed
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US disclosed
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 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-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 PDE4B 2498/4885PDE4A 2306/4885PDE4C 2510/4885

“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.