SCHEMBL17446949

SCHEMBL17446949

C=C1C[C@@H](C)C(c2ccccc2)=NN1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.42
▸ PDE3B Q13370 14/20 0.40
▸ PDE3A Q14432 14/20 0.40
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ PBRM1 Q86U86 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TNNC1 P63316 1/20 0.36

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
SCHEMBL17446955 0.85 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL17446924 0.83 PDE3B (0.48) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL17446918 0.83 PDE3B (0.42) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL17446937 0.83 PDE3B (0.42) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL17446920 0.80 PDE3B (0.40) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL16157002 0.79 PDE3B (0.61) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL7296342 0.79 PDE3B (0.61) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL17446917 0.79 PDE3B (0.39) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL17446932 0.79 PDE3B (0.39) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL17446942 0.77 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C

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 GPR119 2110/4885PDE3B 2667/4885PDE3A 2661/4885

“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.

Send feedback