SCHEMBL17448367

SCHEMBL17448367

CCC(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.60
PDE3A Q14432 16/20 0.60
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 4/20 0.52
GALR3 O60755 2/20 0.52
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
SLFN12 Q8IYM2 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
THRB P10828 1/20 0.46

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
SCHEMBL21241618 0.90 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL21241229 0.84 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL21241243 0.83 PDE3B (0.58) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL22910053 0.82 PDE3B (0.57) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL21241017 0.82 PDE3B (0.53) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL22909976 0.80 PDE3B (0.52) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10736534 0.80 PDE3B (0.64) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL21241020 0.80 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL21241233 0.80 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL21241019 0.80 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016913-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE BROAD INSTITUTE, INC. (US) 2016-01-21 US 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 2661/4885SMN1; SMN2 3132/4885

“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.