SCHEMBL16157212

SCHEMBL16157212

CC1CC(=O)NN=C1c1ccc(N2CCN(C(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ GFER P55789 1/20 0.64
▸ PDE3B Q13370 11/20 0.58
▸ PDE3A Q14432 11/20 0.58
▸ GPR119 Q8TDV5 3/20 0.45
▸ PDE4A P27815 2/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MC4R P32245 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL19860408 0.76 PDE3B (0.50) MAPTKDM4EALDH1A1HPGDPDE3B
SCHEMBL16157209 0.75 MAPT (0.67) MAPTKDM4EALDH1A1CYP2C9HPGD
SCHEMBL21970679 0.74 PDE3B (1.00) MAPTKDM4EALDH1A1CYP2C9HPGD
SCHEMBL16157015 0.74 PDE3B (1.00) MAPTKDM4EALDH1A1CYP2C9HPGD
SCHEMBL16156987 0.73 PDE3B (0.79) MAPTKDM4EALDH1A1CYP2C9HPGD
SCHEMBL11571863 0.73 PDE3B (0.71) MAPTPDE3BPDE3AGPR119PDE4A
SCHEMBL16157007 0.73 PDE3B (0.71) MAPTPDE3BPDE3AGPR119PDE4A
SCHEMBL31473121 0.72 PDE3B (0.63) MAPTKDM4EALDH1A1CYP2C9HPGD
SCHEMBL16157210 0.72 PDE3B (1.00) MAPTKDM4EALDH1A1CYP2C9HPGD
SCHEMBL16156997 0.72 PDE3B (1.00) MAPTKDM4EALDH1A1CYP2C9HPGD

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 MAPT 2840/4885KDM4E 1947/4885ALDH1A1 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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