SCHEMBL16157004

SCHEMBL16157004

C[C@@H]1CC(=O)NN=C1c1ccc(N2CCCOC2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 14/20 0.65
▸ PDE3A Q14432 14/20 0.65
▸ PDE2A O00408 1/20 0.54
▸ PDE1A P54750 1/20 0.54
▸ PDE1B Q01064 1/20 0.54
▸ PDE1C Q14123 1/20 0.54
▸ PDE4A P27815 1/20 0.54
▸ PDE4B Q07343 1/20 0.54
▸ PDE4C Q08493 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ HRH3 Q9Y5N1 4/20 0.49
▸ KCNH2 Q12809 1/20 0.48
▸ GPR119 Q8TDV5 1/20 0.47

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
SCHEMBL10367457 0.93 PDE3B (0.68) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10368593 0.82 PDE3B (0.62) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL16157003 0.82 PDE3B (0.62) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL16157010 0.81 PDE3B (0.61) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL16157210 0.79 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL16156966 0.79 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL16156997 0.79 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10371084 0.78 PDE3B (0.64) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10353457 0.78 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16156987 0.78 PDE3B (0.79) PDE3BPDE3APDE2APDE1APDE1B

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-2970145-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER BROAD INST INC (US) 2020-05-06 — — EP disclosed
US-9890127-B2 Compounds and compositions for the treatment of cancer THE BROAD INSTITUTE, INC. (US) 2018-02-13 — — US disclosed
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
US-20160016913-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE BROAD INSTITUTE, INC. (US) 2016-01-21 — — US disclosed
WO-2014164704-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE BROAD INSTITUTE, INC. (US) 2014-10-09 — — 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-20160016913-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TP53, RB1, CDK4 PDE3B 2667/4885PDE3A 2661/4885PDE2A 3001/4885

“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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