SCHEMBL16157209

SCHEMBL16157209

Cc1ccc(CCC(=O)N2CCN(c3ccc(C4=NNC(=O)CC4C)cc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.67
▸ GFER P55789 2/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ HPGD P15428 1/20 0.67
▸ PDE3B Q13370 8/20 0.61
▸ PDE3A Q14432 8/20 0.61
▸ DGAT1 O75907 1/20 0.49
▸ GPR119 Q8TDV5 1/20 0.49
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ ME2 P23368 1/20 0.45
▸ ME1 P48163 1/20 0.45
▸ ME3 Q16798 1/20 0.45
▸ PDE2A O00408 1/20 0.45
▸ PDE1A P54750 1/20 0.45
▸ PDE1B Q01064 1/20 0.45

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
SCHEMBL16157015 0.77 PDE3B (1.00) MAPTGFERKDM4EALDH1A1CYP2C9
SCHEMBL21970679 0.77 PDE3B (1.00) MAPTGFERKDM4EALDH1A1CYP2C9
SCHEMBL8342501 0.76 PDE3B (0.64) MAPTPDE3BPDE3APDE4APDE4B
SCHEMBL10016799 0.76 PDE3B (0.64) MAPTPDE3BPDE3APDE4APDE4B
SCHEMBL17446993 0.76 MAPT (0.58) MAPTGFERKDM4EALDH1A1CYP2C9
SCHEMBL16156987 0.75 PDE3B (0.79) MAPTGFERKDM4EALDH1A1CYP2C9
SCHEMBL16157212 0.75 MAPT (0.64) MAPTGFERKDM4EALDH1A1CYP2C9
SCHEMBL31473121 0.74 PDE3B (0.63) MAPTGFERKDM4EALDH1A1CYP2C9
SCHEMBL16156997 0.74 PDE3B (1.00) MAPTGFERKDM4EALDH1A1CYP2C9
SCHEMBL16156966 0.74 PDE3B (1.00) MAPTGFERKDM4EALDH1A1CYP2C9

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 2840/4885GFER 4421/4885KDM4E 1947/4885

“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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