SCHEMBL311320

SCHEMBL311320

COc1c[c]c(I)c(OC)c1C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CA9 Q16790 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
SCHEMBL312860 0.83 ACHE (0.34) ACHECYP3A4MAPTCA9
SCHEMBL312101 0.75 ACHE (0.37) ACHECYP3A4MAPTCA9
SCHEMBL313088 0.75 ACHE (0.37) ACHECYP3A4MAPTCA9
SCHEMBL312345 0.75 ACHE (0.37) ACHECYP3A4MAPTCA9
SCHEMBL27661643 0.73 HTR2A (0.34)
SCHEMBL3396123 0.73
SCHEMBL7308855 0.73 ACHE (0.37) ACHECYP3A4MAPTCA9
SCHEMBL3395866 0.72 AGXT (0.31)
SCHEMBL10901594 0.71 ACHE (0.36) ACHECYP3A4MAPTCA9
SCHEMBL27814463 0.69 HTR2A (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093229-B2 Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2012-01-10 US disclosed
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20090318387-A1 ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION 2009-12-24 US disclosed
US-7544672-B2 Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2009-06-09 US disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-26 US disclosed
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-05-17 US disclosed
US-20070111997-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-05-17 US disclosed
US-7148228-B2 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-12-12 US disclosed
US-7138402-B2 Pyrrolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
US-7138401-B2 2-aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
US-7129244-B2 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-10-31 US disclosed
US-20060223797-A1 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION 2006-10-05 US disclosed
US-20050119282-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-06-02 US disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
US-20050113339-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
US-20050107343-A1 Pyrrolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-05-19 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 (10 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-20050107343-A1 Pyrrolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4880/4885CYP3A4 4204/4885MAPT 2449/4885
US-20050119282-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4873/4885CYP3A4 3491/4885MAPT 2565/4885
US-20090318387-A1 ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4879/4885CYP3A4 4441/4885MAPT 2608/4885
US-20060223797-A1 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4879/4885CYP3A4 4260/4885MAPT 2573/4885
US-20050113339-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4873/4885CYP3A4 3640/4885MAPT 2170/4885
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4880/4885CYP3A4 4204/4885MAPT 2449/4885
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4876/4885CYP3A4 3117/4885MAPT 2030/4885
US-20070111997-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4873/4885CYP3A4 3640/4885MAPT 2170/4885
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4873/4885CYP3A4 3491/4885MAPT 2565/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4876/4885CYP3A4 3117/4885MAPT 2030/4885

“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.