SCHEMBL3393889

SCHEMBL3393889

COc1c[c]c(Br)c(OC)c1OCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.38
HTR2A P28223 5/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HTR7 P34969 3/20 0.33
HTR1A P08908 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
PDE4A P27815 1/20 0.32
AR P10275 1/20 0.31
RIPK1 Q13546 1/20 0.31
PDE4B Q07343 5/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
HTR6 P50406 2/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL3393674 0.79 HTR2A (0.38) PDE4DHTR2AHTR2CHTR2B
SCHEMBL28968102 0.79 PDE4D (0.38) PDE4DTDP1PDE4ARIPK1PDE4B
SCHEMBL3396275 0.78 SMN1; SMN2 (0.33)
SCHEMBL311915 0.78 ACHE (0.34)
SCHEMBL3393879 0.78
SCHEMBL3395148 0.78 KDM4E (0.30) TDP1
SCHEMBL3392781 0.76 SMN1; SMN2 (0.41)
SCHEMBL3393578 0.75 SMN1; SMN2 (0.37) THRATHRB
SCHEMBL2581701 0.75 PDE4D (0.47) PDE4DHTR2AHTR2CHTR2BHTR7
SCHEMBL1096701 0.74 PDE4B (0.39) PDE4DHTR2AHTR2CHTR2BHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
US-7138401-B2 2-aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 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 (2 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-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 PDE4D 3201/4885HTR2A 1322/4885HTR2C 1358/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 PDE4D 3201/4885HTR2A 1322/4885HTR2C 1358/4885

“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.