SCHEMBL16149750

SCHEMBL16149750

CC1(C)C(=O)NN=C1c1ccc(N2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 8/20 0.55
▸ PDE3B Q13370 7/20 0.55
▸ DGAT1 O75907 1/20 0.44
▸ XDH P47989 1/20 0.43
▸ MGAT2 Q10469 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.41
▸ EP300 Q09472 1/20 0.41
▸ KAT2B Q92831 1/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 3/20 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
SCHEMBL7378863 0.86 PDE3A (0.50) PDE3APDE3BDGAT1MGAT2MAPT
SCHEMBL2847376 0.72 PDE3A (0.55) PDE3APDE3BPDE4B
SCHEMBL7380645 0.72 PDE3A (0.54) PDE3APDE3BALDH1A1SMN1; SMN2GAA
SCHEMBL10764518 0.69 PDE3B (0.56) PDE3APDE3BMAPTSMN1; SMN2MAPK1
SCHEMBL10891315 0.69 PDE3B (0.67) PDE3APDE3BXDHMAPTMEN1
SCHEMBL16156966 0.68 PDE3B (1.00) PDE3APDE3BMAPTALDH1A1KDM4E
SCHEMBL16157210 0.68 PDE3B (1.00) PDE3APDE3BMAPTALDH1A1KDM4E
SCHEMBL20702632 0.68 PDE3B (1.00) PDE3APDE3BPDE4B
SCHEMBL30692574 0.68 PDE3B (1.00) PDE3APDE3BPDE4B
SCHEMBL16156997 0.68 PDE3B (1.00) PDE3APDE3BMAPTALDH1A1KDM4E

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 12 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
EP-2970145-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER BROAD INST INC (US) 2020-05-06 — — EP disclosed
US-20180244629-A1 Compounds And Compositions For The Treatment Of Cancer THE BROAD INSTITUTE, INC. 2018-08-30 — — US 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-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
US-20160016913-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE BROAD INSTITUTE, INC. (US) 2016-01-21 — — US disclosed
EP-2970145-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER The Broad Institute, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014164704-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE BROAD INSTITUTE, INC. (US) 2014-10-09 — — WO 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 (2 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 PDE3A 2661/4885PDE3B 2667/4885DGAT1 2089/4885
US-20180244629-A1 Compounds And Compositions For The Treatment Of Cancer TP53, RB1, CDK4 PDE3A 2661/4885PDE3B 2667/4885DGAT1 2089/4885

“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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