SCHEMBL16150403

SCHEMBL16150403

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 19/20 0.55
PDE3B Q13370 5/20 0.55
PDE4B Q07343 15/20 0.40
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL2847376 0.82 PDE3A (0.55) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL16150009 0.82 PDE3A (0.55) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL7380645 0.81 PDE3A (0.54) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL5183107 0.80 PDE3A (0.44) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL2844753 0.79 PDE3A (0.52) PDE3APDE3BPDE4B
SCHEMBL16150897 0.78 PDE3B (0.51) PDE3APDE3B
SCHEMBL16150746 0.76 PDE3A (0.52) PDE3APDE3BPDE4B
SCHEMBL6683658 0.76 PDE3A (0.40) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL5184219 0.75 HRH3 (0.46) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL17295075 0.74 PDE3A (0.48) PDE3APDE3BPDE4BPDE4APDE4C

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 2667/4885PDE4B 2928/4885
US-20180244629-A1 Compounds And Compositions For The Treatment Of Cancer TP53, RB1, CDK4 PDE3A 2661/4885PDE3B 2667/4885PDE4B 2928/4885

“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.