SCHEMBL3393674

SCHEMBL3393674

CCOc1c(OC)c[c]c(Br)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TUBB1 Q9H4B7 3/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34

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
SCHEMBL3392781 0.86 SMN1; SMN2 (0.41) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3393578 0.85 SMN1; SMN2 (0.37) MAPK1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL311915 0.85 ACHE (0.34) NCOA1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL3395148 0.84 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL3393879 0.84
SCHEMBL3396275 0.81 SMN1; SMN2 (0.33) MAPK1LMNASMN1; SMN2MAPT
SCHEMBL3393898 0.80 MGAM (0.39) HSD17B10LMNAPTGS2SMN1; SMN2KDM4E
SCHEMBL3393889 0.79 PDE4D (0.38) HTR2AHTR2CHTR2BPDE4D
SCHEMBL27803696 0.75 CA2 (0.37) NCOA1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL312345 0.73 ACHE (0.37) NCOA1TUBB1TUBB4ATUBBTUBA3C

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 HTR2A 1322/4885HTR2C 1358/4885HTR2B 2295/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 HTR2A 1322/4885HTR2C 1358/4885HTR2B 2295/4885

“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.