SCHEMBL16157014

SCHEMBL16157014

CCN(CC)c1ccc(C2=NNC(=O)CC2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 15/20 0.61
▸ PDE3A Q14432 15/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ SLFN12 Q8IYM2 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ PDE4A P27815 2/20 0.55
▸ PDE4B Q07343 2/20 0.55
▸ PDE4C Q08493 2/20 0.55
▸ PDE4D Q08499 2/20 0.55
▸ HRH3 Q9Y5N1 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TNNC1 P63316 1/20 0.50
▸ PDE2A O00408 1/20 0.50
▸ PDE1A P54750 1/20 0.50

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
SCHEMBL16156981 1.00 PDE3B (0.61) PDE3BPDE3AALDH1A1LMNAMAPK1
SCHEMBL10353457 0.85 PDE3B (0.71) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL17446942 0.83 PDE3B (0.44) PDE3BPDE3AALDH1A1LMNAMAPK1
SCHEMBL17446922 0.83 PDE3B (0.44) PDE3BPDE3AALDH1A1LMNAMAPK1
SCHEMBL17446972 0.82 PDE3B (0.72) PDE3BPDE3AALDH1A1LMNAMAPK1
SCHEMBL16157016 0.82 PDE3B (0.72) PDE3BPDE3AALDH1A1LMNAMAPK1
SCHEMBL10621070 0.80 PDE3B (0.52) PDE3BPDE3AALDH1A1LMNAMAPK1
SCHEMBL10621081 0.80 ALDH1A1 (0.50) PDE3BPDE3AALDH1A1LMNAMAPK1
SCHEMBL11633346 0.79 PDE3B (0.64) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL22317993 0.79 PDE3B (0.64) PDE3BPDE3AMAPTPDE4APDE4B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3411037-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CANCER PATIENT STRATIFICATION AND CANCER TREATMENT Bayer Pharma AG (DE) 2021-10-20 — — EP disclosed
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 2661/4885ALDH1A1 367/4885

“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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