SCHEMBL3390504

SCHEMBL3390504

COc1cc(F)c(CBr)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HTR2A P28223 7/20 0.42
HMGCR P04035 1/20 0.42
KDM1A O60341 1/20 0.41
HTR2C P28335 3/20 0.40
TAAR1 Q96RJ0 3/20 0.40
HTR2B P41595 2/20 0.39
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL3775780 0.89 HTR2A (0.41) MTNR1AMTNR1BHTR2AKDM1AHTR2C
SCHEMBL29660928 0.86 HTR2A (0.53) HTR2AHTR2CTAAR1
SCHEMBL16651484 0.86 HTR2A (0.49) HTR2AHTR2CTAAR1
SCHEMBL3993092 0.86 HTR2A (0.53) HTR2AHTR2CTAAR1
SCHEMBL25219237 0.85 HTR2A (0.43) HTR2AHTR2CTAAR1HTR2BCYP3A4
SCHEMBL6738129 0.84 TAAR1 (0.51) HTR2AHTR2CTAAR1HTR2B
SCHEMBL3884189 0.84 HTR2A (0.50) HTR2AHMGCRHTR2CTAAR1HTR2B
SCHEMBL13618030 0.80 TAAR1 (0.53) MTNR1AMTNR1BHMGCRKDM1ATAAR1
SCHEMBL18867908 0.79 HTR2A (0.48) MTNR1AMTNR1BHTR2AHMGCRHTR2C
SCHEMBL17010160 0.79 HTR2A (0.48) MTNR1AMTNR1BHTR2AHMGCRHTR2C

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 7 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
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 WO disclosed
EP-0027993-A1 6-Fluorodihydroxyphenylalanines, a process for preparing and a pharmaceutical composition containing the same MERCK & CO. INC. (US) 1981-05-06 EP 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 MTNR1A 3707/4885MTNR1B 3303/4885HTR2A 1322/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 MTNR1A 3707/4885MTNR1B 3303/4885HTR2A 1322/4885

“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.