SCHEMBL16157017

SCHEMBL16157017

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

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 0.62
PDE3A Q14432 18/20 0.62
PDE4A P27815 3/20 0.59
PDE4B Q07343 3/20 0.59
PDE4C Q08493 3/20 0.59
PDE4D Q08499 3/20 0.59
TNNC1 P63316 1/20 0.55
GALR3 O60755 1/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
PBRM1 Q86U86 1/20 0.52

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
SCHEMBL11393754 0.98 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10353457 0.92 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9687674 0.85 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL22317993 0.85 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8342501 0.85 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11633346 0.85 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10016799 0.85 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7338020 0.84 PDE3B (0.66) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6856944 0.84 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16157007 0.84 PDE3B (0.71) 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 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 2661/4885PDE4A 3343/4885

“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.