SCHEMBL17446946

SCHEMBL17446946

C=C1C[C@@H](C)C(c2ccc(N3CCOCC3)c(Cl)c2)=NN1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 15/20 0.58
▸ PDE3A Q14432 15/20 0.58
▸ GPR119 Q8TDV5 2/20 0.48
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH3A1 P30838 1/20 0.40
▸ ALDH1A3 P47895 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
SCHEMBL17446926 0.87 PDE3B (0.76) PDE3BPDE3AGPR119SMN1; SMN2
SCHEMBL17446925 0.87 PDE3B (0.76) PDE3BPDE3AGPR119SMN1; SMN2
SCHEMBL16156958 0.86 PDE3B (0.78) PDE3BPDE3AGPR119
SCHEMBL17446952 0.84 PDE3B (0.73) PDE3BPDE3AGPR119MAPTSMN1; SMN2
SCHEMBL17446940 0.84 PDE3B (0.73) PDE3BPDE3AGPR119MAPTSMN1; SMN2
SCHEMBL17446931 0.81 PDE3B (0.70) PDE3BPDE3AGPR119MAPT
SCHEMBL17446933 0.78 PDE3B (0.54) PDE3BPDE3AGPR119MAPT
SCHEMBL22288560 0.74 PDE3B (0.50) PDE3BPDE3AGPR119GAAMAPT
SCHEMBL22288916 0.74 GPR119 (0.53) PDE3BPDE3AGPR119GAAMAPT
SCHEMBL16157201 0.74 PDE3B (0.78) PDE3BPDE3AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890127-B2 Compounds and compositions for the treatment of cancer THE BROAD INSTITUTE, INC. (US) 2018-02-13 — — US disclosed
US-20160016913-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE BROAD INSTITUTE, INC. (US) 2016-01-21 — — 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-20160016913-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TP53, RB1, CDK4 PDE3B 2667/4885PDE3A 2661/4885GPR119 2110/4885

“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.

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