SCHEMBL3133564

SCHEMBL3133564

COc1ccc(NCc2cncnc2)cc1OC1CCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
PDE4A P27815 15/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
QPCT Q16769 1/20 0.43
PDE4D Q08499 5/20 0.43
PDE4B Q07343 4/20 0.43
PDE4C Q08493 4/20 0.43
RECQL P46063 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
SCHEMBL3133279 0.98 POLB (0.51) POLBPDE4AALDH1A1MAPTQPCT
SCHEMBL3131100 0.95 POLB (0.44) POLBPDE4AALDH1A1MAPTQPCT
SCHEMBL3120566 0.86 PDE4A (0.45) PDE4APDE4DPDE4BPDE4C
SCHEMBL986245 0.85 PDE4A (0.60) POLBPDE4AALDH1A1MAPTPDE4D
SCHEMBL986248 0.84 PDE4A (0.58) PDE4APDE4DPDE4BPDE4C
SCHEMBL3118145 0.82 POLB (0.47) POLBPDE4AALDH1A1MAPTQPCT
SCHEMBL1157332 0.81 PDE4A (0.58) POLBPDE4APDE4DPDE4BPDE4C
SCHEMBL3122756 0.81 PDE4B (0.45) POLBPDE4AALDH1A1MAPTPDE4D
SCHEMBL1157253 0.81 TUBB4A (0.57) POLBALDH1A1MAPTPDE4B
SCHEMBL3128693 0.81 POLB (0.46) POLBPDE4AQPCTPDE4DPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B POLB 1798/4885PDE4A 1/4885ALDH1A1 190/4885

“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.