SCHEMBL2994300

SCHEMBL2994300

COc1cc(C(CC#N)N2C(=O)c3cscc3C2=O)ccc1OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.67
PDE4B Q07343 10/20 0.67
PDE4C Q08493 10/20 0.67
PDE4D Q08499 10/20 0.67
TNF P01375 8/20 0.48
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
ENPP2 Q13822 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4C Q9H3R0 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
SCHEMBL2995614 0.88 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL2995719 0.87 PDE4B (0.74) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL2991973 0.87 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL15015430 0.84 TNF (0.68) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL2999761 0.84 TNF (0.51) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL2988010 0.84 TNF (0.69) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL2992015 0.83 PDE4B (0.80) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL2999731 0.82 TNF (0.56) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL3000886 0.82 TNF (0.49) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL5905090 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF

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 PDE4A 2306/4885PDE4B 2498/4885PDE4C 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.